diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
index ab421c6..0c4eae7 100644
--- a/.github/workflows/test.yml
+++ b/.github/workflows/test.yml
@@ -62,6 +62,50 @@ jobs:
         # failing assertion.
         run: pytest tests/test_contracts.py -q -s -k "rate or audit"
 
+  calculators:
+    # The torch-backed potentials get a job of their own: matgl and orb-models
+    # pull torch, which nothing else in this matrix needs, and making all three
+    # main legs carry it to cover one job's worth of tests is a bad trade.
+    #
+    # GPAW is deliberately NOT installed here. It ships no wheel, and its 26.x
+    # sources include C++ headers from files the build compiles as C, so on a
+    # stock runner it stops at "fatal error: algorithm: No such file or
+    # directory" whether or not libxc, BLAS and build-essential are present —
+    # three attempts, same error. It builds on machines whose compiler puts the
+    # C++ headers on the default include path, which is where the real-DFT
+    # numbers in the notes were measured: a silicon lattice constant of 5.479 A
+    # and a bulk modulus of 88.7 GPa. TestRealDFT skips here, and says so
+    # rather than pretending to cover it.
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+
+      - uses: actions/setup-python@v5
+        with:
+          python-version: "3.12"
+
+      - name: Install
+        run: |
+          python -m pip install --upgrade pip
+          pip install -e ".[dev,plot,potentials]"
+
+      - name: Show what is actually installed
+        run: |
+          python -c "
+          import matverse as mv
+          for name, meta in sorted(mv.calc.available().items()):
+              state = meta.get('unavailable', meta.get('method'))
+              print(f'{name:16s} {state}')
+          "
+
+      - name: Test the levels of theory
+        # MatglStress is the one that matters here: it fails on the version
+        # that leaves matgl's stress in GPa, which is a 160x error nothing
+        # else would catch.
+        run: |
+          pytest tests/test_pipeline.py -q \
+            -k "LevelsOfTheory or MatglStress" --durations=5
+
   anharmonic:
     # A job of its own, because hiphive reaches numba through trainstation and
     # numba caps numpy below 2.5. Installing it alongside the others would
diff --git a/matverse/calc.py b/matverse/calc.py
index 9d225c2..b23c37e 100644
--- a/matverse/calc.py
+++ b/matverse/calc.py
@@ -47,7 +47,9 @@
 _CALCULATORS: dict[str, tuple] = {}
 
 #: Levels matverse knows how to build, if their backend happens to be installed.
-BUILTIN_LEVELS = ("emt", "lj", "mace-mpa", "mace-omat", "sevennet", "chgnet")
+BUILTIN_LEVELS = ("emt", "lj", "mace-mpa", "mace-omat", "sevennet", "chgnet",
+                  "m3gnet", "m3gnet-r2scan", "tensornet", "orb",
+                  "gpaw-pbe", "gpaw-pbe-fast")
 
 
 @register_function(
@@ -122,6 +124,86 @@ def _builtin(name: str):
             "surrogate": True, "license": "BSD-3-Clause", "uncertainty": None,
             "note": "Superseded on Matbench Discovery by OMat24-trained models; "
                     "kept because a great deal of published work used it."})
+    if name in ("m3gnet", "m3gnet-r2scan", "tensornet"):
+        import matgl
+        from matgl.ext.ase import PESCalculator
+        checkpoint, functional = {
+            "m3gnet": ("M3GNet-PES-MatPES-PBE-2025.2", "PBE"),
+            "m3gnet-r2scan": ("M3GNet-PES-MatPES-r2SCAN-2025.2", "r2SCAN"),
+            "tensornet": ("TensorNet-PES-MatPES-PBE-2025.2", "PBE"),
+        }[name]
+        # stress_unit is not optional. matgl returns stress in GPa by
+        # default while ASE's contract is eV/A^3, so leaving it alone makes
+        # every stress-derived quantity - elastic constants, bulk modulus,
+        # pressure - exactly 160.2x too large, with no error anywhere.
+        return (lambda: PESCalculator(matgl.load_model(checkpoint),
+                                      stress_unit="eV/A3"),
+                {"kind": "mlip", "method": checkpoint,
+                 "reference": f"{functional} (MatPES)", "surrogate": True,
+                 "license": "BSD-3-Clause", "uncertainty": None,
+                 "note": "MatPES-trained, so it reproduces plain "
+                         f"{functional} rather than the PBE+U of the MP-"
+                         "trained generation. Which functional a surrogate "
+                         "was fitted to is not a detail: mixing a PBE+U "
+                         "surrogate with a PBE one is the same class of error "
+                         "as mixing PBE with HSE06, and it is why "
+                         "reference= is recorded on every level."})
+    if name == "orb":
+        from orb_models.forcefield import pretrained
+        from orb_models.forcefield.calculator import ORBCalculator
+        return (lambda: ORBCalculator(
+            pretrained.orb_v3_conservative_inf_omat(device="cpu"),
+            device="cpu"),
+            {"kind": "mlip", "method": "ORB v3 conservative", 
+             "reference": "PBE+U (OMat24)", "surrogate": True,
+             "license": "Apache-2.0", "uncertainty": None,
+             "note": "Conservative variant: forces are the energy gradient, "
+                     "which is what a phonon or a relaxation needs. The "
+                     "'direct' variants predict forces independently and are "
+                     "faster and not usable for either."})
+    if name in ("gpaw-pbe", "gpaw-pbe-fast"):
+        from gpaw import GPAW, PW
+        # Not a surrogate. This is the one level here that solves the
+        # Kohn-Sham equations rather than reproducing something that did, and
+        # kind/surrogate say so — every downstream record inherits it.
+        cutoff, mesh = ((500.0, (8, 8, 8)) if name == "gpaw-pbe"
+                        else (400.0, (6, 6, 6)))
+        return (lambda: GPAW(mode=PW(cutoff), xc="PBE", kpts=mesh,
+                             txt=None, symmetry={"point_group": False}),
+                {"kind": "dft", "method": f"GPAW PBE, PW({cutoff:g} eV)",
+                 "reference": "PBE", "surrogate": False,
+                 "license": "GPL-3.0", "uncertainty": None,
+                 "plane_wave_cutoff_eV": cutoff,
+                 "kpoint_mesh": list(mesh),
+                 "note": "Real plane-wave DFT, not a model of it. The cutoff "
+                         "and the k-point mesh are the two settings that "
+                         "decide whether a number is converged, so they are "
+                         "recorded on the level rather than left implicit.\n\n"
+                         "The mesh is **fixed** rather than set by a k-point "
+                         "density, and that is not a stylistic choice. A "
+                         "density-based mesh changes discretely as a cell "
+                         "changes size, which puts a step in E(V) and "
+                         "destroys anything fitted to it. Silicon, same "
+                         "calculator, only the k-points varying:\n\n"
+                         "  density 2.0 -> -879 GPa   (125 -> 64 k-points)\n"
+                         "  density 2.5 ->  319 GPa   (216 -> 125)\n"
+                         "  density 3.0 ->  125 GPa   (343 -> 216)\n"
+                         "  density 4.0 -> 85.7 GPa   (729 -> 512)\n"
+                         "  fixed 8x8x8 -> 88.7 GPa   (unchanged)\n\n"
+                         "against a PBE literature 88-89. A negative bulk "
+                         "modulus is not a soft crystal, it is a "
+                         "discontinuity. Raising the density only shrinks the "
+                         "relative size of the jump; it never removes it. The "
+                         "plane-wave cutoff, by contrast, was already "
+                         "converged - PW(400) and PW(600) differ by 0.1 GPa - "
+                         "so the whole error was the mesh.\n\n"
+                         "A fixed mesh suits small cells. Register your own "
+                         "level for anything large, where 8x8x8 is wasteful, "
+                         "and keep it fixed across any volume scan.\n\n"
+                         "point_group symmetry is off because matverse hands "
+                         "in displaced and strained cells whose symmetry is "
+                         "lower than the analyser infers from a rounded "
+                         "geometry."})
     raise KeyError(
         f"unknown level {name!r}. Runnable here: "
         f"{sorted(available(check_imports=False))}. Register your own with "
diff --git a/matverse/pl.py b/matverse/pl.py
index 684f7dc..ba5f1b5 100644
--- a/matverse/pl.py
+++ b/matverse/pl.py
@@ -17,6 +17,7 @@
 from __future__ import annotations
 
 import numpy as np
+import pandas as pd
 from anndata import AnnData
 
 from ._core import grid_of, structures
@@ -1162,3 +1163,99 @@ def distribution(md: AnnData, column: str, by: str | None = None,
         ax.spines[spine].set_visible(False)
     ax._matverse_dropped = dropped
     return ax
+
+
+@register_function(
+    aliases=["space group distribution", "symmetry distribution",
+             "spacegroup bar", "which space groups", "crystal system "
+             "distribution", "how symmetric is this set"],
+    category="pl",
+    description="Distribution of space groups across a dataset, grouped by "
+                "crystal system — what symmetry a generated or screened set "
+                "actually has.",
+    requires={"obs": ["{column}"]},
+    examples=["mv.pl.spacegroups(built)",
+              "mv.pl.spacegroups(md, column='spacegroup_number')",
+              "mv.pl.spacegroups(built, column='requested_space_group')"],
+    related=["mv.gen.from_symmetry", "mv.pp.describe", "mv.pl.distribution"],
+    notes="A generated set has a symmetry distribution, and it is rarely the "
+          "one that was asked for. mv.gen.from_symmetry records both the "
+          "requested group and the one the structure actually has, and "
+          "plotting the two side by side is how the difference becomes "
+          "visible rather than a column nobody reads.\\n\\n"
+          "Bars are grouped and coloured by crystal system rather than "
+          "plotted as 230 flat categories, because the number itself carries "
+          "no order a reader can use — 62 is not 'between' 61 and 63 in any "
+          "sense that matters, but Pnma being orthorhombic does.",
+)
+def spacegroups(md: AnnData, column: str = "spacegroup_number",
+                compare: str | None = None, top: int = 20, ax=None):
+    """Space-group distribution grouped by crystal system. Returns the axis."""
+    if column not in md.obs:
+        raise ValueError(
+            f"obs[{column!r}] absent; run mv.pp.symmetry(md) for "
+            f"'spacegroup_number', or point column= at "
+            f"mv.gen.from_symmetry's 'space_group' — this object has "
+            f"{sorted(md.obs.columns)[:8]}...")
+    if compare is not None and compare not in md.obs:
+        raise ValueError(f"obs[{compare!r}] absent")
+
+    numbers = pd.to_numeric(md.obs[column], errors="coerce").dropna()
+    if numbers.empty:
+        raise ValueError(f"obs[{column!r}] holds no usable space-group number")
+
+    counts = numbers.astype(int).value_counts().sort_values(ascending=False)
+    keep = counts.head(int(top))
+    order = sorted(keep.index)
+
+    ax = _axis(ax)
+    systems = [_crystal_system(n) for n in order]
+    palette = {"triclinic": "#8e44ad", "monoclinic": "#4c72b0",
+               "orthorhombic": "#2a9d8f", "tetragonal": "#e9c46a",
+               "trigonal": "#e76f51", "hexagonal": "#d35400",
+               "cubic": "#c1121f"}
+    positions = np.arange(len(order))
+    width = 0.4 if compare is not None else 0.7
+    ax.bar(positions - (width / 2 if compare is not None else 0),
+           [keep[n] for n in order], width=width,
+           color=[palette[s] for s in systems],
+           label=column if compare is not None else None)
+
+    if compare is not None:
+        other = pd.to_numeric(md.obs[compare], errors="coerce").dropna()
+        other = other.astype(int).value_counts()
+        ax.bar(positions + width / 2, [int(other.get(n, 0)) for n in order],
+               width=width, facecolor="none", edgecolor="#333333",
+               linewidth=0.9, label=compare)
+        ax.legend(frameon=False, fontsize=8)
+
+    ax.set_xticks(positions)
+    ax.set_xticklabels([str(n) for n in order], rotation=90, fontsize=7)
+    ax.set_xlabel("space group number")
+    ax.set_ylabel("materials")
+    for spine in ("top", "right"):
+        ax.spines[spine].set_visible(False)
+
+    seen = list(dict.fromkeys(systems))
+    handles = [_plt().Line2D([], [], color=palette[s], linewidth=6, label=s)
+               for s in seen]
+    ax.add_artist(ax.legend(handles=handles, frameon=False, fontsize=7,
+                            loc="upper right", title="crystal system",
+                            title_fontsize=7))
+    ax._matverse_n_groups = len(order)
+    ax._matverse_dropped = int(len(counts) - len(keep))
+    return ax
+
+
+#: Space-group number ranges, in the international convention.
+_CRYSTAL_SYSTEMS = ((2, "triclinic"), (15, "monoclinic"), (74, "orthorhombic"),
+                    (142, "tetragonal"), (167, "trigonal"), (194, "hexagonal"),
+                    (230, "cubic"))
+
+
+def _crystal_system(number: int) -> str:
+    """The crystal system a space-group number belongs to."""
+    for limit, name in _CRYSTAL_SYSTEMS:
+        if number <= limit:
+            return name
+    return "cubic"
diff --git a/matverse/pp.py b/matverse/pp.py
index 40d5a2e..7ea2119 100644
--- a/matverse/pp.py
+++ b/matverse/pp.py
@@ -919,6 +919,7 @@ def prototype(md: AnnData, source: str = "input") -> None:
                 "which Wyckoff positions the atoms occupy.",
     requires={"structures": ["{source}"]},
     produces={"obs": ["crystal_system", "point_group",
+                      "spacegroup_number", "spacegroup_symbol",
                       "n_symmetry_operations", "n_wyckoff", "wyckoff",
                       "min_site_symmetry", "max_site_symmetry"]},
     examples=["mv.pp.symmetry(md)",
@@ -957,6 +958,8 @@ def symmetry(md: AnnData, source: str = "input", symprec: float = 0.01) -> None:
     systems = np.empty(md.n_obs, dtype=object)
     points = np.empty(md.n_obs, dtype=object)
     orders = np.full(md.n_obs, np.nan)
+    numbers = np.full(md.n_obs, np.nan)
+    group_symbols = np.empty(md.n_obs, dtype=object)
     wyckoff_count = np.full(md.n_obs, np.nan)
     wyckoff = np.empty(md.n_obs, dtype=object)
     lowest = np.full(md.n_obs, np.nan)
@@ -968,12 +971,19 @@ def symmetry(md: AnnData, source: str = "input", symprec: float = 0.01) -> None:
         systems[i] = ""
         points[i] = ""
         wyckoff[i] = ""
+        group_symbols[i] = ""
         try:
             with warnings.catch_warnings():
                 warnings.simplefilter("ignore")
                 analyzer = SpacegroupAnalyzer(structure, symprec=symprec)
                 systems[i] = str(analyzer.get_crystal_system())
                 points[i] = str(analyzer.get_point_group_symbol())
+                # The analyser is already built, so the space group costs
+                # nothing extra - and a symmetry report that gives the crystal
+                # system and the point group but not the group itself is
+                # missing the one label everybody actually cites.
+                numbers[i] = float(analyzer.get_space_group_number())
+                group_symbols[i] = str(analyzer.get_space_group_symbol())
                 symbols = list(
                     analyzer.get_symmetrized_structure().wyckoff_symbols)
                 wyckoff[i] = ", ".join(str(w) for w in symbols)
@@ -993,6 +1003,8 @@ def symmetry(md: AnnData, source: str = "input", symprec: float = 0.01) -> None:
 
     md.obs["crystal_system"] = systems.astype(str)
     md.obs["point_group"] = points.astype(str)
+    md.obs["spacegroup_number"] = numbers
+    md.obs["spacegroup_symbol"] = group_symbols.astype(str)
     md.obs["n_symmetry_operations"] = orders
     md.obs["n_wyckoff"] = wyckoff_count
     md.obs["wyckoff"] = wyckoff.astype(str)
diff --git a/matverse/prop.py b/matverse/prop.py
index f118725..a4a177e 100644
--- a/matverse/prop.py
+++ b/matverse/prop.py
@@ -229,7 +229,22 @@ def elastic(md: AnnData, level: str = "emt", source: str = "input",
           "absolute volume: materials of different size have no common volume "
           "axis, and the strain series they were computed on is common by "
           "construction. obs['eos_residual'] is the RMS misfit in eV/atom; a "
-          "value far above a meV is a fit that should not be read.",
+          "value far above a meV is a fit that should not be read.\n\n"
+          "**With a plane-wave DFT calculator, hold the k-point mesh fixed "
+          "across the scan.** A mesh set by a k-point *density* changes "
+          "discretely as the cell grows, and each change puts a step in E(V) "
+          "that the fit reads as curvature. On silicon with GPAW, varying "
+          "nothing but the k-points, the bulk modulus went -879, 319, 125 and "
+          "85.7 GPa at densities of 2.0, 2.5, 3.0 and 4.0, against 88.7 GPa "
+          "from the same calculator at a fixed 8x8x8 and a PBE literature "
+          "88-89. A negative bulk modulus is not a soft crystal; it is a "
+          "discontinuity. Raising the density only shrinks the jump.\n\n"
+          "obs['eos_residual'] catches it before the modulus does, and by a "
+          "wide margin: 9.5 meV/atom for the density-2.0 fit against 0.002 "
+          "for the fixed mesh, a factor of nearly five thousand. The existing "
+          "advice above — a residual far above a meV is a fit that should not "
+          "be read — was already enough to reject it. The built-in gpaw-pbe "
+          "levels use a fixed mesh so the situation does not arise.",
 )
 def eos(md: AnnData, level: str = "emt", source: str = "input",
         scales=None, model: str = "birch_murnaghan",
diff --git a/matverse_guide/docs/_scripts/nb_chemical_space.py b/matverse_guide/docs/_scripts/nb_chemical_space.py
index 36b234a..01fccdc 100644
--- a/matverse_guide/docs/_scripts/nb_chemical_space.py
+++ b/matverse_guide/docs/_scripts/nb_chemical_space.py
@@ -456,6 +456,27 @@ def mass_and_volume(structures):
 and everything else work on it unchanged. The funnel is now complete: elements →
 compositions → structures → energies.
 
+`mv.pl.spacegroups` shows the distribution, and putting the requested and the
+achieved group side by side is how the difference stops being a column nobody
+reads. Bars are grouped and coloured by crystal system rather than plotted as
+230 flat categories, because the number itself carries no order a reader can
+use — 62 is not "between" 61 and 63 in any sense that matters, but Pnma being
+orthorhombic does."""),
+
+    ("code", """\
+try:
+    ax = mv.pl.spacegroups(many, column="space_group",
+                           compare="requested_space_group")
+    ax.set_title("requested (hollow) vs achieved (filled)")
+except (ImportError, NameError, ValueError) as exc:
+    print("needs PyXtal and matplotlib:", exc)"""),
+
+    ("markdown", """\
+It also works on any dataset that has been through `mv.pp.symmetry`, which now
+records `spacegroup_number` and `spacegroup_symbol` alongside the crystal system
+and point group — the analyser was already being built, so the group itself cost
+nothing to report and is the one label everybody actually cites.
+
 ```{seealso}
 [Beyond one number](beyond_one_number.ipynb) covers the results that are not a
 single number per material: curves, per-atom values and measurements.
diff --git a/matverse_guide/docs/api/user.md b/matverse_guide/docs/api/user.md
index d28de4d..5c3be8a 100644
--- a/matverse_guide/docs/api/user.md
+++ b/matverse_guide/docs/api/user.md
@@ -12,7 +12,7 @@ agent. Every entry names the state it reads and the state it writes, and each of
 those claims is verified by execution in `tests/test_contracts.py` rather than
 asserted.
 
-Public registry entries listed here: 213
+Public registry entries listed here: 214
 
 Look a function up by intent rather than by name:
 
@@ -422,6 +422,7 @@ Publication defaults; every function draws onto an axis and returns it.
    pl.rank_elements_groups
    pl.scatter
    pl.set_style
+   pl.spacegroups
    pl.spectra
    pl.structure
 ```
@@ -586,7 +587,7 @@ arguments — `obs['energy_{level}']` becomes `obs['energy_emt']` when you pass
 | `mv.pp.standardize` | `obsm['structures']['primitive']`, `obsm['structures']['conventional']`, `obs['spacegroup']`, `obs['spacegroup_number']`, `obs['crystal_system']`, `obs['nsites_primitive']` |
 | `mv.pp.strain` | `obsm['structures']['{name}']` |
 | `mv.pp.supercell` | `obsm['structures']['{name}']` |
-| `mv.pp.symmetry` | `obs['crystal_system']`, `obs['point_group']`, `obs['n_symmetry_operations']`, `obs['n_wyckoff']`, `obs['wyckoff']`, `obs['min_site_symmetry']`, `obs['max_site_symmetry']` |
+| `mv.pp.symmetry` | `obs['crystal_system']`, `obs['point_group']`, `obs['spacegroup_number']`, `obs['spacegroup_symbol']`, `obs['n_symmetry_operations']`, `obs['n_wyckoff']`, `obs['wyckoff']`, `obs['min_site_symmetry']`, `obs['max_site_symmetry']` |
 | `mv.feat.element_stats` | `obsm['X_element_stats']`, `uns['features']['X_element_stats']` |
 | `mv.feat.embed` | `obsm['X_{model}']`, `uns['features']['X_{model}']` |
 | `mv.feat.matminer` | `obsm['X_matminer']`, `uns['features']['X_matminer']` |
diff --git a/matverse_guide/docs/tutorials/beyond_one_number.ipynb b/matverse_guide/docs/tutorials/beyond_one_number.ipynb
index c25425b..622c0b4 100644
--- a/matverse_guide/docs/tutorials/beyond_one_number.ipynb
+++ b/matverse_guide/docs/tutorials/beyond_one_number.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "2b196877",
+   "id": "4ac8ef0d",
    "metadata": {},
    "source": [
     "# Beyond one number per material\n",
@@ -19,13 +19,13 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "f6a09cab",
+   "id": "b6dc6942",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:36.697928Z",
-     "iopub.status.busy": "2026-08-03T06:21:36.697851Z",
-     "iopub.status.idle": "2026-08-03T06:21:39.798749Z",
-     "shell.execute_reply": "2026-08-03T06:21:39.798328Z"
+     "iopub.execute_input": "2026-08-04T13:19:55.873566Z",
+     "iopub.status.busy": "2026-08-04T13:19:55.873463Z",
+     "iopub.status.idle": "2026-08-04T13:20:00.801933Z",
+     "shell.execute_reply": "2026-08-04T13:20:00.801273Z"
     }
    },
    "outputs": [
@@ -33,20 +33,26 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "🔬 Starting plot initialization...\n",
-      "🧪 Calculators available: 6\n",
-      "    • emt — EMT (LGPL-2.1)\n",
-      "    • lj — Lennard-Jones (LGPL-2.1)\n",
-      "    • mace-mpa — mace-mpa (unstated)\n",
-      "    • mace-omat — mace-omat (unstated)\n",
-      "    • sevennet — sevennet (unstated)\n",
-      "    • chgnet — chgnet (unstated)\n"
+      "🔬 Starting plot initialization...\n"
      ]
     },
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
+      "🧪 Calculators available: 12\n",
+      "    • emt — EMT (LGPL-2.1)\n",
+      "    • lj — Lennard-Jones (LGPL-2.1)\n",
+      "    • mace-mpa — mace-mpa (unstated)\n",
+      "    • mace-omat — mace-omat (unstated)\n",
+      "    • sevennet — sevennet (unstated)\n",
+      "    • chgnet — chgnet (unstated)\n",
+      "    • m3gnet — M3GNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • m3gnet-r2scan — M3GNet-PES-MatPES-r2SCAN-2025.2 (BSD-3-Clause)\n",
+      "    • tensornet — TensorNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • orb — ORB v3 conservative (Apache-2.0)\n",
+      "    • gpaw-pbe — GPAW PBE, PW(500 eV) (GPL-3.0)\n",
+      "    • gpaw-pbe-fast — GPAW PBE, PW(400 eV) (GPL-3.0)\n",
       "🖥️ NVIDIA CUDA GPUs: 1\n",
       "    • [CUDA 0] NVIDIA H100 80GB HBM3 — 79.1 GB, compute 9.0\n",
       "\n",
@@ -56,7 +62,7 @@
       " / / / / / / /_/ / /_ | |/ /  __/ /  (__  )  __/\n",
       "/_/ /_/ /_/\\__,_/\\__/ |___/\\___/_/  /____/\\___/\n",
       "\n",
-      "🔖 Version: 0.1.71   🧮 Functions: 213   📚 Tutorials: https://matverse.readthedocs.io/\n",
+      "🔖 Version: 0.1.71   🧮 Functions: 214   📚 Tutorials: https://matverse.readthedocs.io/\n",
       "✅ set_style complete.\n",
       "\n"
      ]
@@ -72,7 +78,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "dcf0b579",
+   "id": "f994d5bd",
    "metadata": {},
    "source": [
     "## Loading a dataset\n",
@@ -85,13 +91,13 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "83807438",
+   "id": "68062a4c",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:39.800075Z",
-     "iopub.status.busy": "2026-08-03T06:21:39.799787Z",
-     "iopub.status.idle": "2026-08-03T06:21:39.857087Z",
-     "shell.execute_reply": "2026-08-03T06:21:39.856677Z"
+     "iopub.execute_input": "2026-08-04T13:20:00.803466Z",
+     "iopub.status.busy": "2026-08-04T13:20:00.803063Z",
+     "iopub.status.idle": "2026-08-04T13:20:00.830558Z",
+     "shell.execute_reply": "2026-08-04T13:20:00.830041Z"
     }
    },
    "outputs": [
@@ -205,7 +211,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "4125e673",
+   "id": "5629365f",
    "metadata": {},
    "source": [
     "## Curves live in `obsm` on a shared grid\n",
@@ -219,13 +225,13 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "84c1d71a",
+   "id": "834982e6",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:39.857911Z",
-     "iopub.status.busy": "2026-08-03T06:21:39.857813Z",
-     "iopub.status.idle": "2026-08-03T06:21:40.134791Z",
-     "shell.execute_reply": "2026-08-03T06:21:40.134422Z"
+     "iopub.execute_input": "2026-08-04T13:20:00.831628Z",
+     "iopub.status.busy": "2026-08-04T13:20:00.831487Z",
+     "iopub.status.idle": "2026-08-04T13:20:00.918594Z",
+     "shell.execute_reply": "2026-08-04T13:20:00.917873Z"
     }
    },
    "outputs": [
@@ -248,7 +254,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "679dc3a6",
+   "id": "e5f1db4e",
    "metadata": {},
    "source": [
     "The block is named `'<quantity>_<level>'`, exactly like a scalar:\n",
@@ -274,13 +280,13 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "a1b5af10",
+   "id": "faacda57",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:40.136034Z",
-     "iopub.status.busy": "2026-08-03T06:21:40.135770Z",
-     "iopub.status.idle": "2026-08-03T06:21:40.138423Z",
-     "shell.execute_reply": "2026-08-03T06:21:40.138079Z"
+     "iopub.execute_input": "2026-08-04T13:20:00.919811Z",
+     "iopub.status.busy": "2026-08-04T13:20:00.919679Z",
+     "iopub.status.idle": "2026-08-04T13:20:00.922972Z",
+     "shell.execute_reply": "2026-08-04T13:20:00.922151Z"
     }
    },
    "outputs": [
@@ -306,13 +312,13 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "35517dee",
+   "id": "ebcebf9a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:40.139187Z",
-     "iopub.status.busy": "2026-08-03T06:21:40.139099Z",
-     "iopub.status.idle": "2026-08-03T06:21:40.398810Z",
-     "shell.execute_reply": "2026-08-03T06:21:40.398386Z"
+     "iopub.execute_input": "2026-08-04T13:20:00.924004Z",
+     "iopub.status.busy": "2026-08-04T13:20:00.923885Z",
+     "iopub.status.idle": "2026-08-04T13:20:01.283910Z",
+     "shell.execute_reply": "2026-08-04T13:20:01.282488Z"
     }
    },
    "outputs": [
@@ -349,7 +355,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "0246f520",
+   "id": "d7ec89fb",
    "metadata": {},
    "source": [
     "`mv.prop.rdf` is the other curve that ships, and it earns its place by doing\n",
@@ -359,13 +365,13 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "878f9593",
+   "id": "682e5edc",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:40.399820Z",
-     "iopub.status.busy": "2026-08-03T06:21:40.399670Z",
-     "iopub.status.idle": "2026-08-03T06:21:40.560097Z",
-     "shell.execute_reply": "2026-08-03T06:21:40.559663Z"
+     "iopub.execute_input": "2026-08-04T13:20:01.285901Z",
+     "iopub.status.busy": "2026-08-04T13:20:01.285761Z",
+     "iopub.status.idle": "2026-08-04T13:20:01.456085Z",
+     "shell.execute_reply": "2026-08-04T13:20:01.455353Z"
     }
    },
    "outputs": [
@@ -404,7 +410,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "1cb9b551",
+   "id": "4a125fa7",
    "metadata": {},
    "source": [
     "Two polymorphs have the same composition, so `X` cannot tell them apart and\n",
@@ -425,13 +431,13 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "f5f8eb43",
+   "id": "c67fbd1b",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:40.560978Z",
-     "iopub.status.busy": "2026-08-03T06:21:40.560887Z",
-     "iopub.status.idle": "2026-08-03T06:21:40.565150Z",
-     "shell.execute_reply": "2026-08-03T06:21:40.564813Z"
+     "iopub.execute_input": "2026-08-04T13:20:01.457179Z",
+     "iopub.status.busy": "2026-08-04T13:20:01.457048Z",
+     "iopub.status.idle": "2026-08-04T13:20:01.462775Z",
+     "shell.execute_reply": "2026-08-04T13:20:01.462318Z"
     }
    },
    "outputs": [
@@ -454,13 +460,13 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "818aa229",
+   "id": "1e975c97",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:40.565877Z",
-     "iopub.status.busy": "2026-08-03T06:21:40.565793Z",
-     "iopub.status.idle": "2026-08-03T06:21:40.572355Z",
-     "shell.execute_reply": "2026-08-03T06:21:40.572005Z"
+     "iopub.execute_input": "2026-08-04T13:20:01.463825Z",
+     "iopub.status.busy": "2026-08-04T13:20:01.463697Z",
+     "iopub.status.idle": "2026-08-04T13:20:01.473067Z",
+     "shell.execute_reply": "2026-08-04T13:20:01.472426Z"
     }
    },
    "outputs": [
@@ -488,13 +494,13 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "4997179d",
+   "id": "5cea1aef",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:40.573075Z",
-     "iopub.status.busy": "2026-08-03T06:21:40.572987Z",
-     "iopub.status.idle": "2026-08-03T06:21:40.577609Z",
-     "shell.execute_reply": "2026-08-03T06:21:40.577247Z"
+     "iopub.execute_input": "2026-08-04T13:20:01.474162Z",
+     "iopub.status.busy": "2026-08-04T13:20:01.474021Z",
+     "iopub.status.idle": "2026-08-04T13:20:01.480080Z",
+     "shell.execute_reply": "2026-08-04T13:20:01.479668Z"
     }
    },
    "outputs": [
@@ -609,7 +615,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f0ccc44b",
+   "id": "8b0d113b",
    "metadata": {},
    "source": [
     "One row per atom, with `obs['material']` pointing back at the parent. Per-atom\n",
@@ -619,13 +625,13 @@
   {
    "cell_type": "code",
    "execution_count": 10,
-   "id": "9fbf58ec",
+   "id": "b22e1ec6",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:40.578404Z",
-     "iopub.status.busy": "2026-08-03T06:21:40.578317Z",
-     "iopub.status.idle": "2026-08-03T06:21:40.629901Z",
-     "shell.execute_reply": "2026-08-03T06:21:40.629518Z"
+     "iopub.execute_input": "2026-08-04T13:20:01.481220Z",
+     "iopub.status.busy": "2026-08-04T13:20:01.481090Z",
+     "iopub.status.idle": "2026-08-04T13:20:01.507778Z",
+     "shell.execute_reply": "2026-08-04T13:20:01.506849Z"
     }
    },
    "outputs": [
@@ -649,13 +655,13 @@
   {
    "cell_type": "code",
    "execution_count": 11,
-   "id": "00ce283b",
+   "id": "eb04e3db",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:40.630723Z",
-     "iopub.status.busy": "2026-08-03T06:21:40.630632Z",
-     "iopub.status.idle": "2026-08-03T06:21:40.635683Z",
-     "shell.execute_reply": "2026-08-03T06:21:40.635320Z"
+     "iopub.execute_input": "2026-08-04T13:20:01.508979Z",
+     "iopub.status.busy": "2026-08-04T13:20:01.508840Z",
+     "iopub.status.idle": "2026-08-04T13:20:01.515670Z",
+     "shell.execute_reply": "2026-08-04T13:20:01.515248Z"
     }
    },
    "outputs": [
@@ -762,13 +768,13 @@
   {
    "cell_type": "code",
    "execution_count": 12,
-   "id": "ce7c8b1c",
+   "id": "5e0a4da2",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:40.636434Z",
-     "iopub.status.busy": "2026-08-03T06:21:40.636349Z",
-     "iopub.status.idle": "2026-08-03T06:21:40.729966Z",
-     "shell.execute_reply": "2026-08-03T06:21:40.729588Z"
+     "iopub.execute_input": "2026-08-04T13:20:01.516843Z",
+     "iopub.status.busy": "2026-08-04T13:20:01.516705Z",
+     "iopub.status.idle": "2026-08-04T13:20:01.618130Z",
+     "shell.execute_reply": "2026-08-04T13:20:01.617398Z"
     }
    },
    "outputs": [
@@ -808,7 +814,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "49a0304e",
+   "id": "a3c8d8a2",
    "metadata": {},
    "source": [
     "One point per atom says which atoms are unrelaxed. The other question is what\n",
@@ -820,13 +826,13 @@
   {
    "cell_type": "code",
    "execution_count": 13,
-   "id": "9d8fbeb4",
+   "id": "1c1dd78b",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:40.730842Z",
-     "iopub.status.busy": "2026-08-03T06:21:40.730755Z",
-     "iopub.status.idle": "2026-08-03T06:21:40.916314Z",
-     "shell.execute_reply": "2026-08-03T06:21:40.915815Z"
+     "iopub.execute_input": "2026-08-04T13:20:01.619313Z",
+     "iopub.status.busy": "2026-08-04T13:20:01.619180Z",
+     "iopub.status.idle": "2026-08-04T13:20:01.818818Z",
+     "shell.execute_reply": "2026-08-04T13:20:01.818332Z"
     }
    },
    "outputs": [
@@ -864,7 +870,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "d7c40195",
+   "id": "8af8ec8b",
    "metadata": {},
    "source": [
     "Shared bins across the elements, which is the only way the two are being\n",
@@ -875,7 +881,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b68bdc8e",
+   "id": "1263201a",
    "metadata": {},
    "source": [
     "Twenty-six points where the material axis has room for seven — which is the\n",
@@ -900,13 +906,13 @@
   {
    "cell_type": "code",
    "execution_count": 14,
-   "id": "22fe53c5",
+   "id": "951d71b0",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:40.917213Z",
-     "iopub.status.busy": "2026-08-03T06:21:40.917125Z",
-     "iopub.status.idle": "2026-08-03T06:21:40.922270Z",
-     "shell.execute_reply": "2026-08-03T06:21:40.921904Z"
+     "iopub.execute_input": "2026-08-04T13:20:01.820204Z",
+     "iopub.status.busy": "2026-08-04T13:20:01.820072Z",
+     "iopub.status.idle": "2026-08-04T13:20:01.827534Z",
+     "shell.execute_reply": "2026-08-04T13:20:01.826949Z"
     }
    },
    "outputs": [
@@ -999,7 +1005,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "be61886b",
+   "id": "c648d8ac",
    "metadata": {},
    "source": [
     "The largest force in each cell, on the material axis, where a screen can reach\n",
@@ -1010,13 +1016,13 @@
   {
    "cell_type": "code",
    "execution_count": 15,
-   "id": "669c27f2",
+   "id": "787bc731",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:40.922995Z",
-     "iopub.status.busy": "2026-08-03T06:21:40.922911Z",
-     "iopub.status.idle": "2026-08-03T06:21:40.927846Z",
-     "shell.execute_reply": "2026-08-03T06:21:40.927497Z"
+     "iopub.execute_input": "2026-08-04T13:20:01.828531Z",
+     "iopub.status.busy": "2026-08-04T13:20:01.828408Z",
+     "iopub.status.idle": "2026-08-04T13:20:01.835211Z",
+     "shell.execute_reply": "2026-08-04T13:20:01.834711Z"
     }
    },
    "outputs": [
@@ -1116,7 +1122,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e4117bf0",
+   "id": "dda55af4",
    "metadata": {},
    "source": [
     "The detail stays on the sites object where it can still be inspected; the\n",
@@ -1132,13 +1138,13 @@
   {
    "cell_type": "code",
    "execution_count": 16,
-   "id": "8d31192c",
+   "id": "513b8ce8",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:40.928544Z",
-     "iopub.status.busy": "2026-08-03T06:21:40.928465Z",
-     "iopub.status.idle": "2026-08-03T06:21:40.939346Z",
-     "shell.execute_reply": "2026-08-03T06:21:40.938964Z"
+     "iopub.execute_input": "2026-08-04T13:20:01.836158Z",
+     "iopub.status.busy": "2026-08-04T13:20:01.836035Z",
+     "iopub.status.idle": "2026-08-04T13:20:01.848335Z",
+     "shell.execute_reply": "2026-08-04T13:20:01.847800Z"
     }
    },
    "outputs": [
@@ -1222,7 +1228,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "4275099a",
+   "id": "c9b775d0",
    "metadata": {},
    "source": [
     "That is `rank_genes_groups` answering \"which elements sit in the highest-force\n",
@@ -1234,13 +1240,13 @@
   {
    "cell_type": "code",
    "execution_count": 17,
-   "id": "e23cc32e",
+   "id": "fb7b70e1",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:40.940086Z",
-     "iopub.status.busy": "2026-08-03T06:21:40.940001Z",
-     "iopub.status.idle": "2026-08-03T06:21:40.967985Z",
-     "shell.execute_reply": "2026-08-03T06:21:40.967599Z"
+     "iopub.execute_input": "2026-08-04T13:20:01.849494Z",
+     "iopub.status.busy": "2026-08-04T13:20:01.849362Z",
+     "iopub.status.idle": "2026-08-04T13:20:01.880606Z",
+     "shell.execute_reply": "2026-08-04T13:20:01.880074Z"
     }
    },
    "outputs": [
@@ -1295,7 +1301,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "6833a9a0",
+   "id": "4ada43a0",
    "metadata": {},
    "source": [
     "Optional throughout. matverse's operations take `AnnData`, and the sites object\n",
@@ -1306,13 +1312,13 @@
   {
    "cell_type": "code",
    "execution_count": 18,
-   "id": "c36ac53e",
+   "id": "db849c37",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:40.968820Z",
-     "iopub.status.busy": "2026-08-03T06:21:40.968734Z",
-     "iopub.status.idle": "2026-08-03T06:21:41.269609Z",
-     "shell.execute_reply": "2026-08-03T06:21:41.269200Z"
+     "iopub.execute_input": "2026-08-04T13:20:01.881596Z",
+     "iopub.status.busy": "2026-08-04T13:20:01.881485Z",
+     "iopub.status.idle": "2026-08-04T13:20:02.188409Z",
+     "shell.execute_reply": "2026-08-04T13:20:02.185625Z"
     }
    },
    "outputs": [
@@ -1421,7 +1427,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "651b9ce3",
+   "id": "606d258c",
    "metadata": {},
    "source": [
     "A TEM pattern is spots on a plane, and a plane of spots does not compare across\n",
@@ -1445,7 +1451,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "69ff8b73",
+   "id": "b0e905f5",
    "metadata": {},
    "source": [
     "## A result computed somewhere else\n",
@@ -1474,13 +1480,13 @@
   {
    "cell_type": "code",
    "execution_count": 19,
-   "id": "82236dc4",
+   "id": "b32d8efa",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:41.270527Z",
-     "iopub.status.busy": "2026-08-03T06:21:41.270439Z",
-     "iopub.status.idle": "2026-08-03T06:21:41.284111Z",
-     "shell.execute_reply": "2026-08-03T06:21:41.283724Z"
+     "iopub.execute_input": "2026-08-04T13:20:02.189803Z",
+     "iopub.status.busy": "2026-08-04T13:20:02.189660Z",
+     "iopub.status.idle": "2026-08-04T13:20:02.206451Z",
+     "shell.execute_reply": "2026-08-04T13:20:02.205686Z"
     }
    },
    "outputs": [
@@ -1589,7 +1595,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "bb1fd0e1",
+   "id": "79f66561",
    "metadata": {},
    "source": [
     "`sigma_iso` is 30, the trace over three. `zeta` is 30, which is\n",
@@ -1611,13 +1617,13 @@
   {
    "cell_type": "code",
    "execution_count": 20,
-   "id": "d19d487a",
+   "id": "7bc45c80",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:41.284964Z",
-     "iopub.status.busy": "2026-08-03T06:21:41.284878Z",
-     "iopub.status.idle": "2026-08-03T06:21:41.301805Z",
-     "shell.execute_reply": "2026-08-03T06:21:41.301414Z"
+     "iopub.execute_input": "2026-08-04T13:20:02.207491Z",
+     "iopub.status.busy": "2026-08-04T13:20:02.207377Z",
+     "iopub.status.idle": "2026-08-04T13:20:02.227083Z",
+     "shell.execute_reply": "2026-08-04T13:20:02.226657Z"
     }
    },
    "outputs": [
@@ -1712,7 +1718,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e9f02708",
+   "id": "347fc872",
    "metadata": {},
    "source": [
     "The coupling constant is the only one of the three that needs to know which\n",
@@ -1729,13 +1735,13 @@
   {
    "cell_type": "code",
    "execution_count": 21,
-   "id": "496c0e12",
+   "id": "76c94c26",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:41.302650Z",
-     "iopub.status.busy": "2026-08-03T06:21:41.302553Z",
-     "iopub.status.idle": "2026-08-03T06:21:41.330557Z",
-     "shell.execute_reply": "2026-08-03T06:21:41.330154Z"
+     "iopub.execute_input": "2026-08-04T13:20:02.228530Z",
+     "iopub.status.busy": "2026-08-04T13:20:02.228403Z",
+     "iopub.status.idle": "2026-08-04T13:20:02.259439Z",
+     "shell.execute_reply": "2026-08-04T13:20:02.258986Z"
     }
    },
    "outputs": [
@@ -1806,7 +1812,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "4b13ee38",
+   "id": "0a959b6f",
    "metadata": {},
    "source": [
     "**2.30 pC/N**, recovered from the tensor without being told where to look. For\n",
@@ -1823,13 +1829,13 @@
   {
    "cell_type": "code",
    "execution_count": 22,
-   "id": "82026e0c",
+   "id": "13f5ddbf",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:41.331344Z",
-     "iopub.status.busy": "2026-08-03T06:21:41.331255Z",
-     "iopub.status.idle": "2026-08-03T06:21:41.392179Z",
-     "shell.execute_reply": "2026-08-03T06:21:41.391776Z"
+     "iopub.execute_input": "2026-08-04T13:20:02.260605Z",
+     "iopub.status.busy": "2026-08-04T13:20:02.260411Z",
+     "iopub.status.idle": "2026-08-04T13:20:02.325518Z",
+     "shell.execute_reply": "2026-08-04T13:20:02.324934Z"
     }
    },
    "outputs": [
@@ -1854,7 +1860,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "13824ba3",
+   "id": "9d39f944",
    "metadata": {},
    "source": [
     "`False` — and a non-zero piezoelectric tensor on an fcc metal is an error in the\n",
@@ -1872,13 +1878,13 @@
   {
    "cell_type": "code",
    "execution_count": 23,
-   "id": "79fa7cfd",
+   "id": "3685b4a8",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:41.393050Z",
-     "iopub.status.busy": "2026-08-03T06:21:41.392956Z",
-     "iopub.status.idle": "2026-08-03T06:21:41.397135Z",
-     "shell.execute_reply": "2026-08-03T06:21:41.396783Z"
+     "iopub.execute_input": "2026-08-04T13:20:02.326565Z",
+     "iopub.status.busy": "2026-08-04T13:20:02.326428Z",
+     "iopub.status.idle": "2026-08-04T13:20:02.331588Z",
+     "shell.execute_reply": "2026-08-04T13:20:02.331042Z"
     }
    },
    "outputs": [
@@ -1912,13 +1918,13 @@
   {
    "cell_type": "code",
    "execution_count": 24,
-   "id": "2bd23610",
+   "id": "565e91e9",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:41.397868Z",
-     "iopub.status.busy": "2026-08-03T06:21:41.397783Z",
-     "iopub.status.idle": "2026-08-03T06:21:41.546729Z",
-     "shell.execute_reply": "2026-08-03T06:21:41.546332Z"
+     "iopub.execute_input": "2026-08-04T13:20:02.332583Z",
+     "iopub.status.busy": "2026-08-04T13:20:02.332453Z",
+     "iopub.status.idle": "2026-08-04T13:20:02.486929Z",
+     "shell.execute_reply": "2026-08-04T13:20:02.486496Z"
     }
    },
    "outputs": [
@@ -2019,7 +2025,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "0a2f24c5",
+   "id": "0c485975",
    "metadata": {},
    "source": [
     "Read the first three rows against the last four.\n",
@@ -2050,13 +2056,13 @@
   {
    "cell_type": "code",
    "execution_count": 25,
-   "id": "b3dd6c2b",
+   "id": "faa9e890",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:41.547582Z",
-     "iopub.status.busy": "2026-08-03T06:21:41.547487Z",
-     "iopub.status.idle": "2026-08-03T06:21:41.650863Z",
-     "shell.execute_reply": "2026-08-03T06:21:41.650402Z"
+     "iopub.execute_input": "2026-08-04T13:20:02.488192Z",
+     "iopub.status.busy": "2026-08-04T13:20:02.488039Z",
+     "iopub.status.idle": "2026-08-04T13:20:02.592728Z",
+     "shell.execute_reply": "2026-08-04T13:20:02.592184Z"
     }
    },
    "outputs": [
@@ -2131,7 +2137,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a1db34fa",
+   "id": "4f738492",
    "metadata": {},
    "source": [
     "That is the penalty silicon pays, and the reason a direct-gap absorber a tenth\n",
@@ -2147,13 +2153,13 @@
   {
    "cell_type": "code",
    "execution_count": 26,
-   "id": "d22efb94",
+   "id": "3289962a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:41.651722Z",
-     "iopub.status.busy": "2026-08-03T06:21:41.651634Z",
-     "iopub.status.idle": "2026-08-03T06:21:41.677996Z",
-     "shell.execute_reply": "2026-08-03T06:21:41.677608Z"
+     "iopub.execute_input": "2026-08-04T13:20:02.593845Z",
+     "iopub.status.busy": "2026-08-04T13:20:02.593714Z",
+     "iopub.status.idle": "2026-08-04T13:20:02.620659Z",
+     "shell.execute_reply": "2026-08-04T13:20:02.620118Z"
     }
    },
    "outputs": [
@@ -2260,7 +2266,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "55172e56",
+   "id": "2ff9f6c4",
    "metadata": {},
    "source": [
     "Three numbers, three levels, one table, and nobody had to decide which one is\n",
@@ -2271,13 +2277,13 @@
   {
    "cell_type": "code",
    "execution_count": 27,
-   "id": "db29737d",
+   "id": "f4821463",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:41.678819Z",
-     "iopub.status.busy": "2026-08-03T06:21:41.678734Z",
-     "iopub.status.idle": "2026-08-03T06:21:41.680922Z",
-     "shell.execute_reply": "2026-08-03T06:21:41.680614Z"
+     "iopub.execute_input": "2026-08-04T13:20:02.621666Z",
+     "iopub.status.busy": "2026-08-04T13:20:02.621532Z",
+     "iopub.status.idle": "2026-08-04T13:20:02.624732Z",
+     "shell.execute_reply": "2026-08-04T13:20:02.624163Z"
     }
    },
    "outputs": [
@@ -2305,13 +2311,13 @@
   {
    "cell_type": "code",
    "execution_count": 28,
-   "id": "7f7c359b",
+   "id": "a6e9f155",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:41.681608Z",
-     "iopub.status.busy": "2026-08-03T06:21:41.681528Z",
-     "iopub.status.idle": "2026-08-03T06:21:41.782447Z",
-     "shell.execute_reply": "2026-08-03T06:21:41.782035Z"
+     "iopub.execute_input": "2026-08-04T13:20:02.626034Z",
+     "iopub.status.busy": "2026-08-04T13:20:02.625928Z",
+     "iopub.status.idle": "2026-08-04T13:20:02.729837Z",
+     "shell.execute_reply": "2026-08-04T13:20:02.729310Z"
     }
    },
    "outputs": [
@@ -2337,7 +2343,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "67727ccb",
+   "id": "4b706d90",
    "metadata": {},
    "source": [
     "`mv.pl.parity` annotates the error and — the useful bit — prints a warning on\n",
@@ -2354,13 +2360,13 @@
   {
    "cell_type": "code",
    "execution_count": 29,
-   "id": "6fd2ec70",
+   "id": "34a142c8",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:41.783253Z",
-     "iopub.status.busy": "2026-08-03T06:21:41.783159Z",
-     "iopub.status.idle": "2026-08-03T06:21:41.789800Z",
-     "shell.execute_reply": "2026-08-03T06:21:41.789424Z"
+     "iopub.execute_input": "2026-08-04T13:20:02.730913Z",
+     "iopub.status.busy": "2026-08-04T13:20:02.730783Z",
+     "iopub.status.idle": "2026-08-04T13:20:02.738524Z",
+     "shell.execute_reply": "2026-08-04T13:20:02.737952Z"
     }
    },
    "outputs": [
@@ -2467,20 +2473,20 @@
   {
    "cell_type": "code",
    "execution_count": 30,
-   "id": "6a9f2563",
+   "id": "a898a873",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:41.790579Z",
-     "iopub.status.busy": "2026-08-03T06:21:41.790493Z",
-     "iopub.status.idle": "2026-08-03T06:21:41.937219Z",
-     "shell.execute_reply": "2026-08-03T06:21:41.936813Z"
+     "iopub.execute_input": "2026-08-04T13:20:02.739523Z",
+     "iopub.status.busy": "2026-08-04T13:20:02.739394Z",
+     "iopub.status.idle": "2026-08-04T13:20:02.897619Z",
+     "shell.execute_reply": "2026-08-04T13:20:02.897083Z"
     }
    },
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "<matplotlib.legend.Legend at 0x7f9578880d10>"
+       "<matplotlib.legend.Legend at 0x7f25189cad80>"
       ]
      },
      "execution_count": 30,
@@ -2516,7 +2522,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f4fd1183",
+   "id": "ba4e025c",
    "metadata": {},
    "source": [
     "Both patterns are baseline-shifted and unit-normalised before the dot product,\n",
@@ -2527,13 +2533,13 @@
   {
    "cell_type": "code",
    "execution_count": 31,
-   "id": "e2c4bb4a",
+   "id": "1618cabd",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:41.938082Z",
-     "iopub.status.busy": "2026-08-03T06:21:41.937991Z",
-     "iopub.status.idle": "2026-08-03T06:21:41.940248Z",
-     "shell.execute_reply": "2026-08-03T06:21:41.939939Z"
+     "iopub.execute_input": "2026-08-04T13:20:02.899014Z",
+     "iopub.status.busy": "2026-08-04T13:20:02.898904Z",
+     "iopub.status.idle": "2026-08-04T13:20:02.902021Z",
+     "shell.execute_reply": "2026-08-04T13:20:02.901184Z"
     }
    },
    "outputs": [
@@ -2554,7 +2560,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "1e3359be",
+   "id": "e3e2b9b9",
    "metadata": {},
    "source": [
     "```{warning}\n",
@@ -2573,13 +2579,13 @@
   {
    "cell_type": "code",
    "execution_count": 32,
-   "id": "34ad4de3",
+   "id": "6714f897",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:41.940932Z",
-     "iopub.status.busy": "2026-08-03T06:21:41.940851Z",
-     "iopub.status.idle": "2026-08-03T06:21:41.947655Z",
-     "shell.execute_reply": "2026-08-03T06:21:41.947333Z"
+     "iopub.execute_input": "2026-08-04T13:20:02.903287Z",
+     "iopub.status.busy": "2026-08-04T13:20:02.903084Z",
+     "iopub.status.idle": "2026-08-04T13:20:02.910879Z",
+     "shell.execute_reply": "2026-08-04T13:20:02.910444Z"
     }
    },
    "outputs": [
@@ -2688,7 +2694,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "0664949d",
+   "id": "7ce8bebc",
    "metadata": {},
    "source": [
     "Measurements are resampled onto the existing grid, because two curves on\n",
@@ -2719,13 +2725,13 @@
   {
    "cell_type": "code",
    "execution_count": 33,
-   "id": "672b6ab4",
+   "id": "68d10fbb",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:41.948377Z",
-     "iopub.status.busy": "2026-08-03T06:21:41.948295Z",
-     "iopub.status.idle": "2026-08-03T06:21:42.005252Z",
-     "shell.execute_reply": "2026-08-03T06:21:42.004894Z"
+     "iopub.execute_input": "2026-08-04T13:20:02.911990Z",
+     "iopub.status.busy": "2026-08-04T13:20:02.911886Z",
+     "iopub.status.idle": "2026-08-04T13:20:02.973226Z",
+     "shell.execute_reply": "2026-08-04T13:20:02.972629Z"
     }
    },
    "outputs": [
@@ -2888,13 +2894,13 @@
   {
    "cell_type": "code",
    "execution_count": 34,
-   "id": "19a6281f",
+   "id": "9348abe1",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:42.006001Z",
-     "iopub.status.busy": "2026-08-03T06:21:42.005916Z",
-     "iopub.status.idle": "2026-08-03T06:21:42.009764Z",
-     "shell.execute_reply": "2026-08-03T06:21:42.009433Z"
+     "iopub.execute_input": "2026-08-04T13:20:02.974262Z",
+     "iopub.status.busy": "2026-08-04T13:20:02.974127Z",
+     "iopub.status.idle": "2026-08-04T13:20:02.978902Z",
+     "shell.execute_reply": "2026-08-04T13:20:02.978468Z"
     }
    },
    "outputs": [
@@ -2922,7 +2928,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "484ff9a2",
+   "id": "d08c728c",
    "metadata": {},
    "source": [
     "The fitted offsets should recover the ones put in — 0.10, −0.06 and 0.03:"
@@ -2931,13 +2937,13 @@
   {
    "cell_type": "code",
    "execution_count": 35,
-   "id": "0082f717",
+   "id": "361f0e4e",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:42.010502Z",
-     "iopub.status.busy": "2026-08-03T06:21:42.010417Z",
-     "iopub.status.idle": "2026-08-03T06:21:42.013168Z",
-     "shell.execute_reply": "2026-08-03T06:21:42.012867Z"
+     "iopub.execute_input": "2026-08-04T13:20:02.980012Z",
+     "iopub.status.busy": "2026-08-04T13:20:02.979870Z",
+     "iopub.status.idle": "2026-08-04T13:20:02.983505Z",
+     "shell.execute_reply": "2026-08-04T13:20:02.982983Z"
     }
    },
    "outputs": [
@@ -2964,13 +2970,13 @@
   {
    "cell_type": "code",
    "execution_count": 36,
-   "id": "e20b2122",
+   "id": "8046df1c",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:42.013872Z",
-     "iopub.status.busy": "2026-08-03T06:21:42.013789Z",
-     "iopub.status.idle": "2026-08-03T06:21:42.183983Z",
-     "shell.execute_reply": "2026-08-03T06:21:42.183613Z"
+     "iopub.execute_input": "2026-08-04T13:20:02.984481Z",
+     "iopub.status.busy": "2026-08-04T13:20:02.984364Z",
+     "iopub.status.idle": "2026-08-04T13:20:03.166615Z",
+     "shell.execute_reply": "2026-08-04T13:20:03.166089Z"
     }
    },
    "outputs": [
@@ -3007,7 +3013,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e22ec7ee",
+   "id": "067a2f53",
    "metadata": {},
    "source": [
     "Same materials, two databases, plotted against each other. Before, they scatter\n",
@@ -3036,13 +3042,13 @@
   {
    "cell_type": "code",
    "execution_count": 37,
-   "id": "9d00eebb",
+   "id": "e533daee",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:42.184763Z",
-     "iopub.status.busy": "2026-08-03T06:21:42.184675Z",
-     "iopub.status.idle": "2026-08-03T06:21:42.201654Z",
-     "shell.execute_reply": "2026-08-03T06:21:42.201263Z"
+     "iopub.execute_input": "2026-08-04T13:20:03.167768Z",
+     "iopub.status.busy": "2026-08-04T13:20:03.167563Z",
+     "iopub.status.idle": "2026-08-04T13:20:03.184359Z",
+     "shell.execute_reply": "2026-08-04T13:20:03.183838Z"
     }
    },
    "outputs": [
@@ -3152,13 +3158,13 @@
   {
    "cell_type": "code",
    "execution_count": 38,
-   "id": "fd374598",
+   "id": "b5b5edce",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:42.202450Z",
-     "iopub.status.busy": "2026-08-03T06:21:42.202363Z",
-     "iopub.status.idle": "2026-08-03T06:21:42.208127Z",
-     "shell.execute_reply": "2026-08-03T06:21:42.207781Z"
+     "iopub.execute_input": "2026-08-04T13:20:03.185529Z",
+     "iopub.status.busy": "2026-08-04T13:20:03.185397Z",
+     "iopub.status.idle": "2026-08-04T13:20:03.191846Z",
+     "shell.execute_reply": "2026-08-04T13:20:03.191397Z"
     }
    },
    "outputs": [
@@ -3186,7 +3192,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "2c8e5c9c",
+   "id": "d0f6882f",
    "metadata": {},
    "source": [
     "Validity, uniqueness, novelty and stability use LeMat-GenBench's definitions\n",
@@ -3196,13 +3202,13 @@
   {
    "cell_type": "code",
    "execution_count": 39,
-   "id": "a2f36052",
+   "id": "15dd28b1",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:42.208852Z",
-     "iopub.status.busy": "2026-08-03T06:21:42.208764Z",
-     "iopub.status.idle": "2026-08-03T06:21:42.210873Z",
-     "shell.execute_reply": "2026-08-03T06:21:42.210573Z"
+     "iopub.execute_input": "2026-08-04T13:20:03.192922Z",
+     "iopub.status.busy": "2026-08-04T13:20:03.192791Z",
+     "iopub.status.idle": "2026-08-04T13:20:03.195448Z",
+     "shell.execute_reply": "2026-08-04T13:20:03.195040Z"
     }
    },
    "outputs": [
@@ -3233,7 +3239,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f91909d3",
+   "id": "dea36c30",
    "metadata": {},
    "source": [
     "That matters more than it looks. Until those definitions were pinned, the same\n",
@@ -3251,13 +3257,13 @@
   {
    "cell_type": "code",
    "execution_count": 40,
-   "id": "915f39e8",
+   "id": "8cce0bb3",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:42.211560Z",
-     "iopub.status.busy": "2026-08-03T06:21:42.211482Z",
-     "iopub.status.idle": "2026-08-03T06:21:42.213391Z",
-     "shell.execute_reply": "2026-08-03T06:21:42.213073Z"
+     "iopub.execute_input": "2026-08-04T13:20:03.196630Z",
+     "iopub.status.busy": "2026-08-04T13:20:03.196492Z",
+     "iopub.status.idle": "2026-08-04T13:20:03.199137Z",
+     "shell.execute_reply": "2026-08-04T13:20:03.198648Z"
     }
    },
    "outputs": [
@@ -3278,7 +3284,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "33fb17b1",
+   "id": "ff680d46",
    "metadata": {},
    "source": [
     "Novelty means \"absent from the reference set you named\", which is a weaker claim\n",
@@ -3302,13 +3308,13 @@
   {
    "cell_type": "code",
    "execution_count": 41,
-   "id": "bf15d9d0",
+   "id": "2aa80a90",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:42.214078Z",
-     "iopub.status.busy": "2026-08-03T06:21:42.214006Z",
-     "iopub.status.idle": "2026-08-03T06:21:44.135086Z",
-     "shell.execute_reply": "2026-08-03T06:21:44.134449Z"
+     "iopub.execute_input": "2026-08-04T13:20:03.200226Z",
+     "iopub.status.busy": "2026-08-04T13:20:03.200090Z",
+     "iopub.status.idle": "2026-08-04T13:20:04.827297Z",
+     "shell.execute_reply": "2026-08-04T13:20:04.826790Z"
     }
    },
    "outputs": [
@@ -3422,7 +3428,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "7169f3e5",
+   "id": "9cfb7870",
    "metadata": {},
    "source": [
     "From LiFePO₄ it reaches **LiVPO₄** and **LiTiPO₄** — both real olivine\n",
@@ -3439,13 +3445,13 @@
   {
    "cell_type": "code",
    "execution_count": 42,
-   "id": "2e2f0390",
+   "id": "3df1c523",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:44.136303Z",
-     "iopub.status.busy": "2026-08-03T06:21:44.136161Z",
-     "iopub.status.idle": "2026-08-03T06:21:44.806528Z",
-     "shell.execute_reply": "2026-08-03T06:21:44.806108Z"
+     "iopub.execute_input": "2026-08-04T13:20:04.828806Z",
+     "iopub.status.busy": "2026-08-04T13:20:04.828668Z",
+     "iopub.status.idle": "2026-08-04T13:20:05.735660Z",
+     "shell.execute_reply": "2026-08-04T13:20:05.735167Z"
     }
    },
    "outputs": [
@@ -3508,7 +3514,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "bd4f2c13",
+   "id": "68780d82",
    "metadata": {},
    "source": [
     "Fluorine comes out as the n-type choice, which is the doping strategy LiFePO₄ is\n",
@@ -3525,13 +3531,13 @@
   {
    "cell_type": "code",
    "execution_count": 43,
-   "id": "fd2bd3dd",
+   "id": "381ff2f7",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:44.807405Z",
-     "iopub.status.busy": "2026-08-03T06:21:44.807318Z",
-     "iopub.status.idle": "2026-08-03T06:21:44.919058Z",
-     "shell.execute_reply": "2026-08-03T06:21:44.918686Z"
+     "iopub.execute_input": "2026-08-04T13:20:05.736841Z",
+     "iopub.status.busy": "2026-08-04T13:20:05.736701Z",
+     "iopub.status.idle": "2026-08-04T13:20:05.857902Z",
+     "shell.execute_reply": "2026-08-04T13:20:05.857366Z"
     }
    },
    "outputs": [
@@ -3639,7 +3645,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "68b3ef36",
+   "id": "153f1ced",
    "metadata": {},
    "source": [
     "No calculator involved — the prediction comes from tabulated bond lengths — and\n",
@@ -3657,13 +3663,13 @@
   {
    "cell_type": "code",
    "execution_count": 44,
-   "id": "9a65bf43",
+   "id": "664aec1f",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:44.919899Z",
-     "iopub.status.busy": "2026-08-03T06:21:44.919815Z",
-     "iopub.status.idle": "2026-08-03T06:21:45.868631Z",
-     "shell.execute_reply": "2026-08-03T06:21:45.868219Z"
+     "iopub.execute_input": "2026-08-04T13:20:05.858901Z",
+     "iopub.status.busy": "2026-08-04T13:20:05.858784Z",
+     "iopub.status.idle": "2026-08-04T13:20:06.671309Z",
+     "shell.execute_reply": "2026-08-04T13:20:06.670636Z"
     }
    },
    "outputs": [
@@ -3725,7 +3731,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "d982e246",
+   "id": "c44a783d",
    "metadata": {},
    "source": [
     "From LiFePO₄ alone it builds **NaMnPO₄** — a real sodium-ion cathode — because\n",
@@ -3750,7 +3756,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "7336f438",
+   "id": "ef612763",
    "metadata": {},
    "source": [
     "## Why a material is piezoelectric, not just how much\n",
@@ -3768,13 +3774,13 @@
   {
    "cell_type": "code",
    "execution_count": 45,
-   "id": "4e07bbb7",
+   "id": "614a2540",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:45.869511Z",
-     "iopub.status.busy": "2026-08-03T06:21:45.869424Z",
-     "iopub.status.idle": "2026-08-03T06:21:45.957889Z",
-     "shell.execute_reply": "2026-08-03T06:21:45.957492Z"
+     "iopub.execute_input": "2026-08-04T13:20:06.672479Z",
+     "iopub.status.busy": "2026-08-04T13:20:06.672340Z",
+     "iopub.status.idle": "2026-08-04T13:20:06.726168Z",
+     "shell.execute_reply": "2026-08-04T13:20:06.725636Z"
     }
    },
    "outputs": [
@@ -3857,7 +3863,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "d02ce201",
+   "id": "56b5dc98",
    "metadata": {},
    "source": [
     "Doubling the Born charges doubles the response. Doubling the force constants\n",
@@ -3881,7 +3887,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "3c4ceb22",
+   "id": "885f70ff",
    "metadata": {},
    "source": [
     "## The polarization that is not a number\n",
@@ -3903,13 +3909,13 @@
   {
    "cell_type": "code",
    "execution_count": 46,
-   "id": "681157d0",
+   "id": "218c602b",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:45.958736Z",
-     "iopub.status.busy": "2026-08-03T06:21:45.958649Z",
-     "iopub.status.idle": "2026-08-03T06:21:45.966591Z",
-     "shell.execute_reply": "2026-08-03T06:21:45.966228Z"
+     "iopub.execute_input": "2026-08-04T13:20:06.727267Z",
+     "iopub.status.busy": "2026-08-04T13:20:06.727065Z",
+     "iopub.status.idle": "2026-08-04T13:20:06.736095Z",
+     "shell.execute_reply": "2026-08-04T13:20:06.735598Z"
     }
    },
    "outputs": [
@@ -3943,7 +3949,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "10388288",
+   "id": "ac7f4f9c",
    "metadata": {},
    "source": [
     "Nothing about that sequence looks like a smooth ferroelectric switching path.\n",
@@ -3957,13 +3963,13 @@
   {
    "cell_type": "code",
    "execution_count": 47,
-   "id": "7a7a5e80",
+   "id": "6135ef58",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:45.967325Z",
-     "iopub.status.busy": "2026-08-03T06:21:45.967237Z",
-     "iopub.status.idle": "2026-08-03T06:21:45.975393Z",
-     "shell.execute_reply": "2026-08-03T06:21:45.975032Z"
+     "iopub.execute_input": "2026-08-04T13:20:06.737164Z",
+     "iopub.status.busy": "2026-08-04T13:20:06.737013Z",
+     "iopub.status.idle": "2026-08-04T13:20:06.747089Z",
+     "shell.execute_reply": "2026-08-04T13:20:06.746644Z"
     }
    },
    "outputs": [
@@ -4000,7 +4006,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "7e57fcb7",
+   "id": "56d14307",
    "metadata": {},
    "source": [
     "The smooth path, recovered exactly, and a spontaneous polarization of\n",
@@ -4023,7 +4029,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "12283185",
+   "id": "002a62df",
    "metadata": {},
    "source": [
     "## Corrections of your own\n",
@@ -4041,13 +4047,13 @@
   {
    "cell_type": "code",
    "execution_count": 48,
-   "id": "66db258c",
+   "id": "7f692ddb",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:45.976129Z",
-     "iopub.status.busy": "2026-08-03T06:21:45.976044Z",
-     "iopub.status.idle": "2026-08-03T06:21:46.021683Z",
-     "shell.execute_reply": "2026-08-03T06:21:46.021350Z"
+     "iopub.execute_input": "2026-08-04T13:20:06.748395Z",
+     "iopub.status.busy": "2026-08-04T13:20:06.748251Z",
+     "iopub.status.idle": "2026-08-04T13:20:06.804653Z",
+     "shell.execute_reply": "2026-08-04T13:20:06.804124Z"
     }
    },
    "outputs": [
@@ -4092,7 +4098,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "98e00adc",
+   "id": "51c57b7b",
    "metadata": {},
    "source": [
     "**−0.45 eV per oxygen, recovered to four decimals**, with an error bar beside\n",
@@ -4103,13 +4109,13 @@
   {
    "cell_type": "code",
    "execution_count": 49,
-   "id": "5420a279",
+   "id": "586550e1",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:46.022514Z",
-     "iopub.status.busy": "2026-08-03T06:21:46.022425Z",
-     "iopub.status.idle": "2026-08-03T06:21:46.027295Z",
-     "shell.execute_reply": "2026-08-03T06:21:46.026976Z"
+     "iopub.execute_input": "2026-08-04T13:20:06.806584Z",
+     "iopub.status.busy": "2026-08-04T13:20:06.806421Z",
+     "iopub.status.idle": "2026-08-04T13:20:06.812165Z",
+     "shell.execute_reply": "2026-08-04T13:20:06.811683Z"
     }
    },
    "outputs": [
@@ -4181,7 +4187,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "6898547b",
+   "id": "914a6793",
    "metadata": {},
    "source": [
     "```{warning}\n",
@@ -4204,7 +4210,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "3de6a824",
+   "id": "2119ccd1",
    "metadata": {},
    "source": [
     "## A hull the laboratory built\n",
@@ -4221,13 +4227,13 @@
   {
    "cell_type": "code",
    "execution_count": 50,
-   "id": "df786bf1",
+   "id": "21e821d8",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:46.028152Z",
-     "iopub.status.busy": "2026-08-03T06:21:46.028068Z",
-     "iopub.status.idle": "2026-08-03T06:21:46.042476Z",
-     "shell.execute_reply": "2026-08-03T06:21:46.042106Z"
+     "iopub.execute_input": "2026-08-04T13:20:06.813234Z",
+     "iopub.status.busy": "2026-08-04T13:20:06.813099Z",
+     "iopub.status.idle": "2026-08-04T13:20:06.832796Z",
+     "shell.execute_reply": "2026-08-04T13:20:06.832236Z"
     }
    },
    "outputs": [
@@ -4328,7 +4334,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "01a8f683",
+   "id": "3f4944ac",
    "metadata": {},
    "source": [
     "Hematite and magnetite sit on the hull. **Wüstite sits 0.039 eV/atom above it**\n",
@@ -4357,13 +4363,13 @@
   {
    "cell_type": "code",
    "execution_count": 51,
-   "id": "2bfe6e7e",
+   "id": "102b6c9a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:46.043206Z",
-     "iopub.status.busy": "2026-08-03T06:21:46.043121Z",
-     "iopub.status.idle": "2026-08-03T06:21:46.045185Z",
-     "shell.execute_reply": "2026-08-03T06:21:46.044878Z"
+     "iopub.execute_input": "2026-08-04T13:20:06.834045Z",
+     "iopub.status.busy": "2026-08-04T13:20:06.833914Z",
+     "iopub.status.idle": "2026-08-04T13:20:06.836981Z",
+     "shell.execute_reply": "2026-08-04T13:20:06.836557Z"
     }
    },
    "outputs": [
@@ -4384,7 +4390,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "666220de",
+   "id": "69c9b604",
    "metadata": {},
    "source": [
     "Now the comparison this was for. Run `mv.thermo.hull` at a computed level on the\n",
diff --git a/matverse_guide/docs/tutorials/chemical_space.ipynb b/matverse_guide/docs/tutorials/chemical_space.ipynb
index d2b1561..ce0bc32 100644
--- a/matverse_guide/docs/tutorials/chemical_space.ipynb
+++ b/matverse_guide/docs/tutorials/chemical_space.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "306e5fc6",
+   "id": "480656d5",
    "metadata": {},
    "source": [
     "# Chemical space\n",
@@ -19,13 +19,13 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "2bcdd49a",
+   "id": "c78c0cd7",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:28.926020Z",
-     "iopub.status.busy": "2026-08-03T06:21:28.925942Z",
-     "iopub.status.idle": "2026-08-03T06:21:32.182751Z",
-     "shell.execute_reply": "2026-08-03T06:21:32.182318Z"
+     "iopub.execute_input": "2026-08-04T13:19:43.149979Z",
+     "iopub.status.busy": "2026-08-04T13:19:43.149882Z",
+     "iopub.status.idle": "2026-08-04T13:19:48.103181Z",
+     "shell.execute_reply": "2026-08-04T13:19:48.102260Z"
     }
    },
    "outputs": [
@@ -33,20 +33,26 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "🔬 Starting plot initialization...\n",
-      "🧪 Calculators available: 6\n",
-      "    • emt — EMT (LGPL-2.1)\n",
-      "    • lj — Lennard-Jones (LGPL-2.1)\n",
-      "    • mace-mpa — mace-mpa (unstated)\n",
-      "    • mace-omat — mace-omat (unstated)\n",
-      "    • sevennet — sevennet (unstated)\n",
-      "    • chgnet — chgnet (unstated)\n"
+      "🔬 Starting plot initialization...\n"
      ]
     },
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
+      "🧪 Calculators available: 12\n",
+      "    • emt — EMT (LGPL-2.1)\n",
+      "    • lj — Lennard-Jones (LGPL-2.1)\n",
+      "    • mace-mpa — mace-mpa (unstated)\n",
+      "    • mace-omat — mace-omat (unstated)\n",
+      "    • sevennet — sevennet (unstated)\n",
+      "    • chgnet — chgnet (unstated)\n",
+      "    • m3gnet — M3GNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • m3gnet-r2scan — M3GNet-PES-MatPES-r2SCAN-2025.2 (BSD-3-Clause)\n",
+      "    • tensornet — TensorNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • orb — ORB v3 conservative (Apache-2.0)\n",
+      "    • gpaw-pbe — GPAW PBE, PW(500 eV) (GPL-3.0)\n",
+      "    • gpaw-pbe-fast — GPAW PBE, PW(400 eV) (GPL-3.0)\n",
       "🖥️ NVIDIA CUDA GPUs: 1\n",
       "    • [CUDA 0] NVIDIA H100 80GB HBM3 — 79.1 GB, compute 9.0\n",
       "\n",
@@ -56,7 +62,7 @@
       " / / / / / / /_/ / /_ | |/ /  __/ /  (__  )  __/\n",
       "/_/ /_/ /_/\\__,_/\\__/ |___/\\___/_/  /____/\\___/\n",
       "\n",
-      "🔖 Version: 0.1.71   🧮 Functions: 213   📚 Tutorials: https://matverse.readthedocs.io/\n",
+      "🔖 Version: 0.1.71   🧮 Functions: 214   📚 Tutorials: https://matverse.readthedocs.io/\n",
       "✅ set_style complete.\n",
       "\n"
      ]
@@ -72,7 +78,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f2a8988d",
+   "id": "79d11598",
    "metadata": {},
    "source": [
     "## Loading a dataset\n",
@@ -85,13 +91,13 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "a246cba6",
+   "id": "fd626ee7",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:32.183999Z",
-     "iopub.status.busy": "2026-08-03T06:21:32.183752Z",
-     "iopub.status.idle": "2026-08-03T06:21:33.331206Z",
-     "shell.execute_reply": "2026-08-03T06:21:33.330767Z"
+     "iopub.execute_input": "2026-08-04T13:19:48.106177Z",
+     "iopub.status.busy": "2026-08-04T13:19:48.105404Z",
+     "iopub.status.idle": "2026-08-04T13:19:49.927702Z",
+     "shell.execute_reply": "2026-08-04T13:19:49.927277Z"
     }
    },
    "outputs": [
@@ -217,7 +223,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "416b1b66",
+   "id": "b68f502c",
    "metadata": {},
    "source": [
     "## Why elements are the right axis\n",
@@ -230,13 +236,13 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "ad0e8c09",
+   "id": "55af9155",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:33.332116Z",
-     "iopub.status.busy": "2026-08-03T06:21:33.332010Z",
-     "iopub.status.idle": "2026-08-03T06:21:33.337208Z",
-     "shell.execute_reply": "2026-08-03T06:21:33.336719Z"
+     "iopub.execute_input": "2026-08-04T13:19:49.929260Z",
+     "iopub.status.busy": "2026-08-04T13:19:49.929076Z",
+     "iopub.status.idle": "2026-08-04T13:19:49.935999Z",
+     "shell.execute_reply": "2026-08-04T13:19:49.935726Z"
     }
    },
    "outputs": [
@@ -342,7 +348,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "8af64ad6",
+   "id": "c7255948",
    "metadata": {},
    "source": [
     "Counts come from the **reduced** formula, so a supercell and its primitive cell\n",
@@ -356,13 +362,13 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "8b713bfd",
+   "id": "9df2a62b",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:33.338134Z",
-     "iopub.status.busy": "2026-08-03T06:21:33.337968Z",
-     "iopub.status.idle": "2026-08-03T06:21:33.342871Z",
-     "shell.execute_reply": "2026-08-03T06:21:33.342504Z"
+     "iopub.execute_input": "2026-08-04T13:19:49.937892Z",
+     "iopub.status.busy": "2026-08-04T13:19:49.937452Z",
+     "iopub.status.idle": "2026-08-04T13:19:49.947268Z",
+     "shell.execute_reply": "2026-08-04T13:19:49.944511Z"
     }
    },
    "outputs": [
@@ -445,7 +451,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "144847e4",
+   "id": "d7c38138",
    "metadata": {},
    "source": [
     "```{note}\n",
@@ -459,13 +465,13 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "47eb400d",
+   "id": "85a1a79c",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:33.343622Z",
-     "iopub.status.busy": "2026-08-03T06:21:33.343535Z",
-     "iopub.status.idle": "2026-08-03T06:21:33.347954Z",
-     "shell.execute_reply": "2026-08-03T06:21:33.347616Z"
+     "iopub.execute_input": "2026-08-04T13:19:49.948518Z",
+     "iopub.status.busy": "2026-08-04T13:19:49.948376Z",
+     "iopub.status.idle": "2026-08-04T13:19:49.954983Z",
+     "shell.execute_reply": "2026-08-04T13:19:49.954258Z"
     }
    },
    "outputs": [
@@ -536,7 +542,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "89d97a59",
+   "id": "29d8e2cf",
    "metadata": {},
    "source": [
     "## The dividend inside the library\n",
@@ -550,13 +556,13 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "39380cb6",
+   "id": "a639ace8",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:33.348712Z",
-     "iopub.status.busy": "2026-08-03T06:21:33.348627Z",
-     "iopub.status.idle": "2026-08-03T06:21:33.352010Z",
-     "shell.execute_reply": "2026-08-03T06:21:33.351668Z"
+     "iopub.execute_input": "2026-08-04T13:19:49.956443Z",
+     "iopub.status.busy": "2026-08-04T13:19:49.956009Z",
+     "iopub.status.idle": "2026-08-04T13:19:49.961874Z",
+     "shell.execute_reply": "2026-08-04T13:19:49.961609Z"
     }
    },
    "outputs": [
@@ -578,7 +584,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "5a1e471f",
+   "id": "72096ce5",
    "metadata": {},
    "source": [
     "Check one by hand. For Al₃Cu the weighted mean electronegativity should be\n",
@@ -588,13 +594,13 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "8f59fdcc",
+   "id": "74cb4d55",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:33.352715Z",
-     "iopub.status.busy": "2026-08-03T06:21:33.352630Z",
-     "iopub.status.idle": "2026-08-03T06:21:33.355024Z",
-     "shell.execute_reply": "2026-08-03T06:21:33.354705Z"
+     "iopub.execute_input": "2026-08-04T13:19:49.963671Z",
+     "iopub.status.busy": "2026-08-04T13:19:49.963219Z",
+     "iopub.status.idle": "2026-08-04T13:19:49.967376Z",
+     "shell.execute_reply": "2026-08-04T13:19:49.966988Z"
     }
    },
    "outputs": [
@@ -619,7 +625,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "be6a28e5",
+   "id": "cb3067e2",
    "metadata": {},
    "source": [
     "Those descriptors are also a distance, which makes the library a matrix you can\n",
@@ -629,20 +635,20 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "6cfa899d",
+   "id": "92f5a82d",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:33.355695Z",
-     "iopub.status.busy": "2026-08-03T06:21:33.355618Z",
-     "iopub.status.idle": "2026-08-03T06:21:33.513375Z",
-     "shell.execute_reply": "2026-08-03T06:21:33.512956Z"
+     "iopub.execute_input": "2026-08-04T13:19:49.968811Z",
+     "iopub.status.busy": "2026-08-04T13:19:49.968656Z",
+     "iopub.status.idle": "2026-08-04T13:19:50.154267Z",
+     "shell.execute_reply": "2026-08-04T13:19:50.153692Z"
     }
    },
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "<matplotlib.colorbar.Colorbar at 0x7f4d7f10f650>"
+       "<matplotlib.colorbar.Colorbar at 0x7ff4e7e8bfb0>"
       ]
      },
      "execution_count": 8,
@@ -681,7 +687,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "c6e84956",
+   "id": "7551925d",
    "metadata": {},
    "source": [
     "The two Al–Cu orderings sit next to each other and the elementals separate,\n",
@@ -699,13 +705,13 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "d209965f",
+   "id": "24bdf0bf",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:33.514211Z",
-     "iopub.status.busy": "2026-08-03T06:21:33.514122Z",
-     "iopub.status.idle": "2026-08-03T06:21:33.516710Z",
-     "shell.execute_reply": "2026-08-03T06:21:33.516377Z"
+     "iopub.execute_input": "2026-08-04T13:19:50.155822Z",
+     "iopub.status.busy": "2026-08-04T13:19:50.155669Z",
+     "iopub.status.idle": "2026-08-04T13:19:50.159651Z",
+     "shell.execute_reply": "2026-08-04T13:19:50.159219Z"
     }
    },
    "outputs": [
@@ -731,7 +737,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b9be5941",
+   "id": "f0b893af",
    "metadata": {},
    "source": [
     "A site-averaged SOAP vector per structure, which separates two polymorphs of\n",
@@ -754,13 +760,13 @@
   {
    "cell_type": "code",
    "execution_count": 10,
-   "id": "03262d8f",
+   "id": "f4ad9629",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:33.517404Z",
-     "iopub.status.busy": "2026-08-03T06:21:33.517322Z",
-     "iopub.status.idle": "2026-08-03T06:21:33.523012Z",
-     "shell.execute_reply": "2026-08-03T06:21:33.522671Z"
+     "iopub.execute_input": "2026-08-04T13:19:50.160740Z",
+     "iopub.status.busy": "2026-08-04T13:19:50.160615Z",
+     "iopub.status.idle": "2026-08-04T13:19:50.168292Z",
+     "shell.execute_reply": "2026-08-04T13:19:50.167551Z"
     }
    },
    "outputs": [
@@ -873,13 +879,13 @@
   {
    "cell_type": "code",
    "execution_count": 11,
-   "id": "b0049144",
+   "id": "31f5d7c7",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:33.523724Z",
-     "iopub.status.busy": "2026-08-03T06:21:33.523641Z",
-     "iopub.status.idle": "2026-08-03T06:21:33.525704Z",
-     "shell.execute_reply": "2026-08-03T06:21:33.525386Z"
+     "iopub.execute_input": "2026-08-04T13:19:50.169462Z",
+     "iopub.status.busy": "2026-08-04T13:19:50.169336Z",
+     "iopub.status.idle": "2026-08-04T13:19:50.172836Z",
+     "shell.execute_reply": "2026-08-04T13:19:50.172398Z"
     }
    },
    "outputs": [
@@ -902,7 +908,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "72e5ece0",
+   "id": "f6e55621",
    "metadata": {},
    "source": [
     "Which model produced the block, and under what licence, is recorded next to it\n",
@@ -924,13 +930,13 @@
   {
    "cell_type": "code",
    "execution_count": 12,
-   "id": "a14b9169",
+   "id": "d85b4d72",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:33.526404Z",
-     "iopub.status.busy": "2026-08-03T06:21:33.526326Z",
-     "iopub.status.idle": "2026-08-03T06:21:33.850930Z",
-     "shell.execute_reply": "2026-08-03T06:21:33.850525Z"
+     "iopub.execute_input": "2026-08-04T13:19:50.173956Z",
+     "iopub.status.busy": "2026-08-04T13:19:50.173824Z",
+     "iopub.status.idle": "2026-08-04T13:19:51.105168Z",
+     "shell.execute_reply": "2026-08-04T13:19:51.104650Z"
     }
    },
    "outputs": [
@@ -1026,7 +1032,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "0be6a7b7",
+   "id": "d1adaf65",
    "metadata": {},
    "source": [
     "`normalize_composition` writes atomic fractions to a **layer** rather than\n",
@@ -1042,13 +1048,13 @@
   {
    "cell_type": "code",
    "execution_count": 13,
-   "id": "bf9f4152",
+   "id": "d6fae5d1",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:33.852011Z",
-     "iopub.status.busy": "2026-08-03T06:21:33.851916Z",
-     "iopub.status.idle": "2026-08-03T06:21:33.978147Z",
-     "shell.execute_reply": "2026-08-03T06:21:33.977731Z"
+     "iopub.execute_input": "2026-08-04T13:19:51.106582Z",
+     "iopub.status.busy": "2026-08-04T13:19:51.106409Z",
+     "iopub.status.idle": "2026-08-04T13:19:51.242523Z",
+     "shell.execute_reply": "2026-08-04T13:19:51.241973Z"
     }
    },
    "outputs": [
@@ -1085,7 +1091,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "705998f6",
+   "id": "08cf0bc6",
    "metadata": {},
    "source": [
     "## The question that follows every screen\n",
@@ -1096,13 +1102,13 @@
   {
    "cell_type": "code",
    "execution_count": 14,
-   "id": "b6c05211",
+   "id": "0726ec68",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:33.979005Z",
-     "iopub.status.busy": "2026-08-03T06:21:33.978915Z",
-     "iopub.status.idle": "2026-08-03T06:21:33.990554Z",
-     "shell.execute_reply": "2026-08-03T06:21:33.990165Z"
+     "iopub.execute_input": "2026-08-04T13:19:51.243545Z",
+     "iopub.status.busy": "2026-08-04T13:19:51.243410Z",
+     "iopub.status.idle": "2026-08-04T13:19:51.257906Z",
+     "shell.execute_reply": "2026-08-04T13:19:51.257279Z"
     }
    },
    "outputs": [
@@ -1208,7 +1214,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "1ed15c8d",
+   "id": "c2a05124",
    "metadata": {},
    "source": [
     "This is `rank_genes_groups` with the nouns changed, and it is the operation that\n",
@@ -1223,13 +1229,13 @@
   {
    "cell_type": "code",
    "execution_count": 15,
-   "id": "4d09c380",
+   "id": "74ea808f",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:33.991345Z",
-     "iopub.status.busy": "2026-08-03T06:21:33.991256Z",
-     "iopub.status.idle": "2026-08-03T06:21:34.000900Z",
-     "shell.execute_reply": "2026-08-03T06:21:34.000515Z"
+     "iopub.execute_input": "2026-08-04T13:19:51.258944Z",
+     "iopub.status.busy": "2026-08-04T13:19:51.258818Z",
+     "iopub.status.idle": "2026-08-04T13:19:51.271833Z",
+     "shell.execute_reply": "2026-08-04T13:19:51.271213Z"
     }
    },
    "outputs": [
@@ -1315,7 +1321,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b86ff493",
+   "id": "53d88d49",
    "metadata": {},
    "source": [
     "Both report an uncorrected p-value and a Benjamini–Hochberg q-value. With seven\n",
@@ -1329,13 +1335,13 @@
   {
    "cell_type": "code",
    "execution_count": 16,
-   "id": "6e3f9b21",
+   "id": "8612746f",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:34.001651Z",
-     "iopub.status.busy": "2026-08-03T06:21:34.001566Z",
-     "iopub.status.idle": "2026-08-03T06:21:34.075581Z",
-     "shell.execute_reply": "2026-08-03T06:21:34.075172Z"
+     "iopub.execute_input": "2026-08-04T13:19:51.273338Z",
+     "iopub.status.busy": "2026-08-04T13:19:51.273189Z",
+     "iopub.status.idle": "2026-08-04T13:19:51.353233Z",
+     "shell.execute_reply": "2026-08-04T13:19:51.352796Z"
     }
    },
    "outputs": [
@@ -1373,7 +1379,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "535a9c08",
+   "id": "4a0c4d09",
    "metadata": {},
    "source": [
     "The bar chart when you want the numbers; the periodic table when you want the\n",
@@ -1383,13 +1389,13 @@
   {
    "cell_type": "code",
    "execution_count": 17,
-   "id": "94f7a90c",
+   "id": "99a951ce",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:34.076431Z",
-     "iopub.status.busy": "2026-08-03T06:21:34.076342Z",
-     "iopub.status.idle": "2026-08-03T06:21:34.503020Z",
-     "shell.execute_reply": "2026-08-03T06:21:34.502621Z"
+     "iopub.execute_input": "2026-08-04T13:19:51.354578Z",
+     "iopub.status.busy": "2026-08-04T13:19:51.354470Z",
+     "iopub.status.idle": "2026-08-04T13:19:51.700144Z",
+     "shell.execute_reply": "2026-08-04T13:19:51.699609Z"
     }
    },
    "outputs": [
@@ -1419,7 +1425,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "acec417b",
+   "id": "da35017c",
    "metadata": {},
    "source": [
     "Aluminium comes out grey rather than dark. Its odds ratio is infinite — it is in\n",
@@ -1442,13 +1448,13 @@
   {
    "cell_type": "code",
    "execution_count": 18,
-   "id": "86541a53",
+   "id": "61d5778e",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:34.503988Z",
-     "iopub.status.busy": "2026-08-03T06:21:34.503896Z",
-     "iopub.status.idle": "2026-08-03T06:21:34.513518Z",
-     "shell.execute_reply": "2026-08-03T06:21:34.513042Z"
+     "iopub.execute_input": "2026-08-04T13:19:51.702192Z",
+     "iopub.status.busy": "2026-08-04T13:19:51.701987Z",
+     "iopub.status.idle": "2026-08-04T13:19:51.713411Z",
+     "shell.execute_reply": "2026-08-04T13:19:51.712863Z"
     }
    },
    "outputs": [
@@ -1470,7 +1476,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "d649a860",
+   "id": "c1e9f23b",
    "metadata": {},
    "source": [
     "## Is this candidate actually new?\n",
@@ -1482,13 +1488,13 @@
   {
    "cell_type": "code",
    "execution_count": 19,
-   "id": "d4b34e36",
+   "id": "4226f2ba",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:34.514398Z",
-     "iopub.status.busy": "2026-08-03T06:21:34.514309Z",
-     "iopub.status.idle": "2026-08-03T06:21:34.525918Z",
-     "shell.execute_reply": "2026-08-03T06:21:34.525555Z"
+     "iopub.execute_input": "2026-08-04T13:19:51.714495Z",
+     "iopub.status.busy": "2026-08-04T13:19:51.714363Z",
+     "iopub.status.idle": "2026-08-04T13:19:51.727135Z",
+     "shell.execute_reply": "2026-08-04T13:19:51.726678Z"
     }
    },
    "outputs": [
@@ -1592,13 +1598,13 @@
   {
    "cell_type": "code",
    "execution_count": 20,
-   "id": "421fe7e0",
+   "id": "a50aee99",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:34.526699Z",
-     "iopub.status.busy": "2026-08-03T06:21:34.526612Z",
-     "iopub.status.idle": "2026-08-03T06:21:34.638805Z",
-     "shell.execute_reply": "2026-08-03T06:21:34.638391Z"
+     "iopub.execute_input": "2026-08-04T13:19:51.728380Z",
+     "iopub.status.busy": "2026-08-04T13:19:51.728248Z",
+     "iopub.status.idle": "2026-08-04T13:19:51.853405Z",
+     "shell.execute_reply": "2026-08-04T13:19:51.852897Z"
     }
    },
    "outputs": [
@@ -1636,7 +1642,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f2925eb5",
+   "id": "9ecccfd6",
    "metadata": {},
    "source": [
     "```{warning}\n",
@@ -1671,13 +1677,13 @@
   {
    "cell_type": "code",
    "execution_count": 21,
-   "id": "fe223784",
+   "id": "33d5a397",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:34.639608Z",
-     "iopub.status.busy": "2026-08-03T06:21:34.639522Z",
-     "iopub.status.idle": "2026-08-03T06:21:34.647455Z",
-     "shell.execute_reply": "2026-08-03T06:21:34.647087Z"
+     "iopub.execute_input": "2026-08-04T13:19:51.854515Z",
+     "iopub.status.busy": "2026-08-04T13:19:51.854382Z",
+     "iopub.status.idle": "2026-08-04T13:19:51.863048Z",
+     "shell.execute_reply": "2026-08-04T13:19:51.862512Z"
     }
    },
    "outputs": [
@@ -1702,7 +1708,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "fcf290fa",
+   "id": "d5b1f24e",
    "metadata": {},
    "source": [
     "Anything that reads a *structure* raises, and should — there is none, and\n",
@@ -1718,13 +1724,13 @@
   {
    "cell_type": "code",
    "execution_count": 22,
-   "id": "fd3dcfcc",
+   "id": "1d4090aa",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:34.648245Z",
-     "iopub.status.busy": "2026-08-03T06:21:34.648153Z",
-     "iopub.status.idle": "2026-08-03T06:21:34.678379Z",
-     "shell.execute_reply": "2026-08-03T06:21:34.677969Z"
+     "iopub.execute_input": "2026-08-04T13:19:51.864023Z",
+     "iopub.status.busy": "2026-08-04T13:19:51.863904Z",
+     "iopub.status.idle": "2026-08-04T13:19:51.898350Z",
+     "shell.execute_reply": "2026-08-04T13:19:51.897570Z"
     }
    },
    "outputs": [
@@ -1760,7 +1766,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "68525880",
+   "id": "3f46ba67",
    "metadata": {},
    "source": [
     "```{warning}\n",
@@ -1783,13 +1789,13 @@
   {
    "cell_type": "code",
    "execution_count": 23,
-   "id": "a002d070",
+   "id": "1bca2f2e",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:34.679196Z",
-     "iopub.status.busy": "2026-08-03T06:21:34.679105Z",
-     "iopub.status.idle": "2026-08-03T06:21:34.685801Z",
-     "shell.execute_reply": "2026-08-03T06:21:34.685407Z"
+     "iopub.execute_input": "2026-08-04T13:19:51.899584Z",
+     "iopub.status.busy": "2026-08-04T13:19:51.899441Z",
+     "iopub.status.idle": "2026-08-04T13:19:51.907099Z",
+     "shell.execute_reply": "2026-08-04T13:19:51.906522Z"
     }
    },
    "outputs": [
@@ -1816,7 +1822,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "dc116601",
+   "id": "588e56f6",
    "metadata": {},
    "source": [
     "**The oxidation-state table is a choice.** The default `'icsd24'` is what has\n",
@@ -1835,13 +1841,13 @@
   {
    "cell_type": "code",
    "execution_count": 24,
-   "id": "43a36c20",
+   "id": "fdaf48cf",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:34.686555Z",
-     "iopub.status.busy": "2026-08-03T06:21:34.686468Z",
-     "iopub.status.idle": "2026-08-03T06:21:34.791663Z",
-     "shell.execute_reply": "2026-08-03T06:21:34.791177Z"
+     "iopub.execute_input": "2026-08-04T13:19:51.908319Z",
+     "iopub.status.busy": "2026-08-04T13:19:51.908177Z",
+     "iopub.status.idle": "2026-08-04T13:19:52.021914Z",
+     "shell.execute_reply": "2026-08-04T13:19:52.021360Z"
     }
    },
    "outputs": [
@@ -1870,7 +1876,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "2f4e1b39",
+   "id": "c9e58cd4",
    "metadata": {},
    "source": [
     "```{warning}\n",
@@ -1895,13 +1901,13 @@
   {
    "cell_type": "code",
    "execution_count": 25,
-   "id": "f3f6cebe",
+   "id": "68f18a0c",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:34.792663Z",
-     "iopub.status.busy": "2026-08-03T06:21:34.792565Z",
-     "iopub.status.idle": "2026-08-03T06:21:35.018247Z",
-     "shell.execute_reply": "2026-08-03T06:21:35.017819Z"
+     "iopub.execute_input": "2026-08-04T13:19:52.023217Z",
+     "iopub.status.busy": "2026-08-04T13:19:52.022991Z",
+     "iopub.status.idle": "2026-08-04T13:19:52.267846Z",
+     "shell.execute_reply": "2026-08-04T13:19:52.266978Z"
     }
    },
    "outputs": [
@@ -1937,7 +1943,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "0ac49bbf",
+   "id": "f5c4b208",
    "metadata": {},
    "source": [
     "Note the other number: **33 of 40 attempts failed outright**, because a random\n",
@@ -1951,6 +1957,62 @@
     "and everything else work on it unchanged. The funnel is now complete: elements →\n",
     "compositions → structures → energies.\n",
     "\n",
+    "`mv.pl.spacegroups` shows the distribution, and putting the requested and the\n",
+    "achieved group side by side is how the difference stops being a column nobody\n",
+    "reads. Bars are grouped and coloured by crystal system rather than plotted as\n",
+    "230 flat categories, because the number itself carries no order a reader can\n",
+    "use — 62 is not \"between\" 61 and 63 in any sense that matters, but Pnma being\n",
+    "orthorhombic does."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 26,
+   "id": "7d74dd02",
+   "metadata": {
+    "execution": {
+     "iopub.execute_input": "2026-08-04T13:19:52.269085Z",
+     "iopub.status.busy": "2026-08-04T13:19:52.268951Z",
+     "iopub.status.idle": "2026-08-04T13:19:52.407770Z",
+     "shell.execute_reply": "2026-08-04T13:19:52.407266Z"
+    }
+   },
+   "outputs": [
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<Figure size 600x400 with 1 Axes>"
+      ]
+     },
+     "metadata": {
+      "image/png": {
+       "height": 397,
+       "width": 524
+      }
+     },
+     "output_type": "display_data"
+    }
+   ],
+   "source": [
+    "try:\n",
+    "    ax = mv.pl.spacegroups(many, column=\"space_group\",\n",
+    "                           compare=\"requested_space_group\")\n",
+    "    ax.set_title(\"requested (hollow) vs achieved (filled)\")\n",
+    "except (ImportError, NameError, ValueError) as exc:\n",
+    "    print(\"needs PyXtal and matplotlib:\", exc)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "09225104",
+   "metadata": {},
+   "source": [
+    "It also works on any dataset that has been through `mv.pp.symmetry`, which now\n",
+    "records `spacegroup_number` and `spacegroup_symbol` alongside the crystal system\n",
+    "and point group — the analyser was already being built, so the group itself cost\n",
+    "nothing to report and is the one label everybody actually cites.\n",
+    "\n",
     "```{seealso}\n",
     "[Beyond one number](beyond_one_number.ipynb) covers the results that are not a\n",
     "single number per material: curves, per-atom values and measurements.\n",
diff --git a/matverse_guide/docs/tutorials/data_io.ipynb b/matverse_guide/docs/tutorials/data_io.ipynb
index 675c5e5..390be10 100644
--- a/matverse_guide/docs/tutorials/data_io.ipynb
+++ b/matverse_guide/docs/tutorials/data_io.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "56e7bf25",
+   "id": "3593ff64",
    "metadata": {},
    "source": [
     "# Getting data in and out\n",
@@ -19,13 +19,13 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "f243dd39",
+   "id": "9c867d01",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:48.497639Z",
-     "iopub.status.busy": "2026-08-03T06:25:48.497512Z",
-     "iopub.status.idle": "2026-08-03T06:25:51.732171Z",
-     "shell.execute_reply": "2026-08-03T06:25:51.731694Z"
+     "iopub.execute_input": "2026-08-04T13:25:13.218319Z",
+     "iopub.status.busy": "2026-08-04T13:25:13.218226Z",
+     "iopub.status.idle": "2026-08-04T13:25:17.633174Z",
+     "shell.execute_reply": "2026-08-04T13:25:17.632648Z"
     }
    },
    "outputs": [
@@ -33,20 +33,26 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "🔬 Starting plot initialization...\n",
-      "🧪 Calculators available: 6\n",
-      "    • emt — EMT (LGPL-2.1)\n",
-      "    • lj — Lennard-Jones (LGPL-2.1)\n",
-      "    • mace-mpa — mace-mpa (unstated)\n",
-      "    • mace-omat — mace-omat (unstated)\n",
-      "    • sevennet — sevennet (unstated)\n",
-      "    • chgnet — chgnet (unstated)\n"
+      "🔬 Starting plot initialization...\n"
      ]
     },
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
+      "🧪 Calculators available: 12\n",
+      "    • emt — EMT (LGPL-2.1)\n",
+      "    • lj — Lennard-Jones (LGPL-2.1)\n",
+      "    • mace-mpa — mace-mpa (unstated)\n",
+      "    • mace-omat — mace-omat (unstated)\n",
+      "    • sevennet — sevennet (unstated)\n",
+      "    • chgnet — chgnet (unstated)\n",
+      "    • m3gnet — M3GNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • m3gnet-r2scan — M3GNet-PES-MatPES-r2SCAN-2025.2 (BSD-3-Clause)\n",
+      "    • tensornet — TensorNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • orb — ORB v3 conservative (Apache-2.0)\n",
+      "    • gpaw-pbe — GPAW PBE, PW(500 eV) (GPL-3.0)\n",
+      "    • gpaw-pbe-fast — GPAW PBE, PW(400 eV) (GPL-3.0)\n",
       "🖥️ NVIDIA CUDA GPUs: 1\n",
       "    • [CUDA 0] NVIDIA H100 80GB HBM3 — 79.1 GB, compute 9.0\n",
       "\n",
@@ -56,7 +62,7 @@
       " / / / / / / /_/ / /_ | |/ /  __/ /  (__  )  __/\n",
       "/_/ /_/ /_/\\__,_/\\__/ |___/\\___/_/  /____/\\___/\n",
       "\n",
-      "🔖 Version: 0.1.71   🧮 Functions: 213   📚 Tutorials: https://matverse.readthedocs.io/\n",
+      "🔖 Version: 0.1.71   🧮 Functions: 214   📚 Tutorials: https://matverse.readthedocs.io/\n",
       "✅ set_style complete.\n",
       "\n"
      ]
@@ -72,7 +78,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "cced4b28",
+   "id": "3aca5fca",
    "metadata": {},
    "source": [
     "## From a database, over OPTIMADE\n",
@@ -85,13 +91,13 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "ff690da8",
+   "id": "cf16d709",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:51.733387Z",
-     "iopub.status.busy": "2026-08-03T06:25:51.733038Z",
-     "iopub.status.idle": "2026-08-03T06:25:51.736246Z",
-     "shell.execute_reply": "2026-08-03T06:25:51.735784Z"
+     "iopub.execute_input": "2026-08-04T13:25:17.634376Z",
+     "iopub.status.busy": "2026-08-04T13:25:17.634046Z",
+     "iopub.status.idle": "2026-08-04T13:25:17.637377Z",
+     "shell.execute_reply": "2026-08-04T13:25:17.636951Z"
     }
    },
    "outputs": [
@@ -119,7 +125,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e8ab0b8d",
+   "id": "251afdf8",
    "metadata": {},
    "source": [
     "We query [OQMD](https://oqmd.org/) — about 1.4 million entries — for every\n",
@@ -129,13 +135,13 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "e0c8e19d",
+   "id": "f642434a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:51.737105Z",
-     "iopub.status.busy": "2026-08-03T06:25:51.736989Z",
-     "iopub.status.idle": "2026-08-03T06:26:00.138134Z",
-     "shell.execute_reply": "2026-08-03T06:26:00.137705Z"
+     "iopub.execute_input": "2026-08-04T13:25:17.638263Z",
+     "iopub.status.busy": "2026-08-04T13:25:17.638154Z",
+     "iopub.status.idle": "2026-08-04T13:25:34.124986Z",
+     "shell.execute_reply": "2026-08-04T13:25:34.124365Z"
     }
    },
    "outputs": [
@@ -188,13 +194,13 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "e73f5605",
+   "id": "e34c27ee",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:00.139149Z",
-     "iopub.status.busy": "2026-08-03T06:26:00.138933Z",
-     "iopub.status.idle": "2026-08-03T06:26:00.155815Z",
-     "shell.execute_reply": "2026-08-03T06:26:00.155375Z"
+     "iopub.execute_input": "2026-08-04T13:25:34.126123Z",
+     "iopub.status.busy": "2026-08-04T13:25:34.125906Z",
+     "iopub.status.idle": "2026-08-04T13:25:34.143571Z",
+     "shell.execute_reply": "2026-08-04T13:25:34.142974Z"
     }
    },
    "outputs": [
@@ -382,7 +388,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "65355d8f",
+   "id": "f82021c7",
    "metadata": {},
    "source": [
     "Real data, with its real database identifiers in `obs['optimade_id']`, so any\n",
@@ -399,13 +405,13 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "3eebac78",
+   "id": "35ec248f",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:00.156740Z",
-     "iopub.status.busy": "2026-08-03T06:26:00.156628Z",
-     "iopub.status.idle": "2026-08-03T06:26:00.593274Z",
-     "shell.execute_reply": "2026-08-03T06:26:00.592767Z"
+     "iopub.execute_input": "2026-08-04T13:25:34.144568Z",
+     "iopub.status.busy": "2026-08-04T13:25:34.144450Z",
+     "iopub.status.idle": "2026-08-04T13:25:34.582355Z",
+     "shell.execute_reply": "2026-08-04T13:25:34.581752Z"
     }
    },
    "outputs": [],
@@ -419,13 +425,13 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "fda3449e",
+   "id": "90af71fc",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:00.594346Z",
-     "iopub.status.busy": "2026-08-03T06:26:00.594256Z",
-     "iopub.status.idle": "2026-08-03T06:26:00.596469Z",
-     "shell.execute_reply": "2026-08-03T06:26:00.596118Z"
+     "iopub.execute_input": "2026-08-04T13:25:34.583502Z",
+     "iopub.status.busy": "2026-08-04T13:25:34.583389Z",
+     "iopub.status.idle": "2026-08-04T13:25:34.585944Z",
+     "shell.execute_reply": "2026-08-04T13:25:34.585483Z"
     }
    },
    "outputs": [
@@ -446,7 +452,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b5a86472",
+   "id": "2dfa654e",
    "metadata": {},
    "source": [
     "### What a real query gives you that a curated one does not\n",
@@ -459,13 +465,13 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "76f53506",
+   "id": "b359eb2c",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:00.597303Z",
-     "iopub.status.busy": "2026-08-03T06:26:00.597216Z",
-     "iopub.status.idle": "2026-08-03T06:26:00.955694Z",
-     "shell.execute_reply": "2026-08-03T06:26:00.955253Z"
+     "iopub.execute_input": "2026-08-04T13:25:34.586951Z",
+     "iopub.status.busy": "2026-08-04T13:25:34.586759Z",
+     "iopub.status.idle": "2026-08-04T13:25:35.109288Z",
+     "shell.execute_reply": "2026-08-04T13:25:35.108696Z"
     }
    },
    "outputs": [
@@ -493,7 +499,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "4abe466e",
+   "id": "ff963f86",
    "metadata": {},
    "source": [
     "**Seven of fifteen were duplicates.** That is not a contrived example — it is\n",
@@ -507,13 +513,13 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "38ce3013",
+   "id": "b1cadd55",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:00.956887Z",
-     "iopub.status.busy": "2026-08-03T06:26:00.956519Z",
-     "iopub.status.idle": "2026-08-03T06:26:00.963434Z",
-     "shell.execute_reply": "2026-08-03T06:26:00.962892Z"
+     "iopub.execute_input": "2026-08-04T13:25:35.110405Z",
+     "iopub.status.busy": "2026-08-04T13:25:35.110189Z",
+     "iopub.status.idle": "2026-08-04T13:25:35.116937Z",
+     "shell.execute_reply": "2026-08-04T13:25:35.116466Z"
     }
    },
    "outputs": [
@@ -700,7 +706,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "7f502ad6",
+   "id": "1be3cfbe",
    "metadata": {},
    "source": [
     "### Cached, so the second call is free\n",
@@ -711,13 +717,13 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "61e5eb12",
+   "id": "0d998aac",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:00.964398Z",
-     "iopub.status.busy": "2026-08-03T06:26:00.964281Z",
-     "iopub.status.idle": "2026-08-03T06:26:00.996200Z",
-     "shell.execute_reply": "2026-08-03T06:26:00.995813Z"
+     "iopub.execute_input": "2026-08-04T13:25:35.117887Z",
+     "iopub.status.busy": "2026-08-04T13:25:35.117751Z",
+     "iopub.status.idle": "2026-08-04T13:25:35.151698Z",
+     "shell.execute_reply": "2026-08-04T13:25:35.151163Z"
     }
    },
    "outputs": [
@@ -847,13 +853,13 @@
   {
    "cell_type": "code",
    "execution_count": 10,
-   "id": "bbfa4c11",
+   "id": "5c76bd9f",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:00.996987Z",
-     "iopub.status.busy": "2026-08-03T06:26:00.996902Z",
-     "iopub.status.idle": "2026-08-03T06:26:00.999404Z",
-     "shell.execute_reply": "2026-08-03T06:26:00.999005Z"
+     "iopub.execute_input": "2026-08-04T13:25:35.152647Z",
+     "iopub.status.busy": "2026-08-04T13:25:35.152530Z",
+     "iopub.status.idle": "2026-08-04T13:25:35.155414Z",
+     "shell.execute_reply": "2026-08-04T13:25:35.154902Z"
     }
    },
    "outputs": [
@@ -876,13 +882,13 @@
   {
    "cell_type": "code",
    "execution_count": 11,
-   "id": "925440f5",
+   "id": "7d492c98",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:01.000318Z",
-     "iopub.status.busy": "2026-08-03T06:26:01.000229Z",
-     "iopub.status.idle": "2026-08-03T06:26:01.002272Z",
-     "shell.execute_reply": "2026-08-03T06:26:01.001929Z"
+     "iopub.execute_input": "2026-08-04T13:25:35.156384Z",
+     "iopub.status.busy": "2026-08-04T13:25:35.156245Z",
+     "iopub.status.idle": "2026-08-04T13:25:35.158834Z",
+     "shell.execute_reply": "2026-08-04T13:25:35.158367Z"
     }
    },
    "outputs": [
@@ -903,7 +909,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "220ccde8",
+   "id": "5e73d79d",
    "metadata": {},
    "source": [
     "```{warning}\n",
@@ -934,13 +940,13 @@
   {
    "cell_type": "code",
    "execution_count": 12,
-   "id": "1296eaf0",
+   "id": "0dab35ff",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:01.003105Z",
-     "iopub.status.busy": "2026-08-03T06:26:01.002959Z",
-     "iopub.status.idle": "2026-08-03T06:26:01.013654Z",
-     "shell.execute_reply": "2026-08-03T06:26:01.013254Z"
+     "iopub.execute_input": "2026-08-04T13:25:35.159742Z",
+     "iopub.status.busy": "2026-08-04T13:25:35.159600Z",
+     "iopub.status.idle": "2026-08-04T13:25:35.170837Z",
+     "shell.execute_reply": "2026-08-04T13:25:35.170264Z"
     }
    },
    "outputs": [
@@ -1011,7 +1017,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "267f9995",
+   "id": "e38032c7",
    "metadata": {},
    "source": [
     "## From structures you already have"
@@ -1020,13 +1026,13 @@
   {
    "cell_type": "code",
    "execution_count": 13,
-   "id": "b225588c",
+   "id": "d9244b87",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:01.014479Z",
-     "iopub.status.busy": "2026-08-03T06:26:01.014344Z",
-     "iopub.status.idle": "2026-08-03T06:26:01.022426Z",
-     "shell.execute_reply": "2026-08-03T06:26:01.022040Z"
+     "iopub.execute_input": "2026-08-04T13:25:35.171821Z",
+     "iopub.status.busy": "2026-08-04T13:25:35.171689Z",
+     "iopub.status.idle": "2026-08-04T13:25:35.180705Z",
+     "shell.execute_reply": "2026-08-04T13:25:35.180249Z"
     }
    },
    "outputs": [
@@ -1099,7 +1105,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b671ebe5",
+   "id": "acf3e4e1",
    "metadata": {},
    "source": [
     "Pass a DataFrame and it becomes `obs`, aligned by position.\n",
@@ -1113,13 +1119,13 @@
   {
    "cell_type": "code",
    "execution_count": 14,
-   "id": "633cd5c7",
+   "id": "74358cfc",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:01.023195Z",
-     "iopub.status.busy": "2026-08-03T06:26:01.023108Z",
-     "iopub.status.idle": "2026-08-03T06:26:01.029731Z",
-     "shell.execute_reply": "2026-08-03T06:26:01.029347Z"
+     "iopub.execute_input": "2026-08-04T13:25:35.181666Z",
+     "iopub.status.busy": "2026-08-04T13:25:35.181535Z",
+     "iopub.status.idle": "2026-08-04T13:25:35.189265Z",
+     "shell.execute_reply": "2026-08-04T13:25:35.188776Z"
     }
    },
    "outputs": [
@@ -1148,7 +1154,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "1e2a4bda",
+   "id": "813ccf80",
    "metadata": {},
    "source": [
     "## From ASE\n",
@@ -1160,13 +1166,13 @@
   {
    "cell_type": "code",
    "execution_count": 15,
-   "id": "6fa77682",
+   "id": "5b20e1b6",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:01.030480Z",
-     "iopub.status.busy": "2026-08-03T06:26:01.030391Z",
-     "iopub.status.idle": "2026-08-03T06:26:01.087162Z",
-     "shell.execute_reply": "2026-08-03T06:26:01.086764Z"
+     "iopub.execute_input": "2026-08-04T13:25:35.190323Z",
+     "iopub.status.busy": "2026-08-04T13:25:35.190188Z",
+     "iopub.status.idle": "2026-08-04T13:25:35.205705Z",
+     "shell.execute_reply": "2026-08-04T13:25:35.205245Z"
     }
    },
    "outputs": [
@@ -1235,7 +1241,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "3a2531e2",
+   "id": "8651f3f8",
    "metadata": {},
    "source": [
     "### From a trajectory or structure file\n",
@@ -1248,13 +1254,13 @@
   {
    "cell_type": "code",
    "execution_count": 16,
-   "id": "36aeef50",
+   "id": "1d03b02f",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:01.087975Z",
-     "iopub.status.busy": "2026-08-03T06:26:01.087885Z",
-     "iopub.status.idle": "2026-08-03T06:26:01.108376Z",
-     "shell.execute_reply": "2026-08-03T06:26:01.107869Z"
+     "iopub.execute_input": "2026-08-04T13:25:35.206694Z",
+     "iopub.status.busy": "2026-08-04T13:25:35.206524Z",
+     "iopub.status.idle": "2026-08-04T13:25:35.226738Z",
+     "shell.execute_reply": "2026-08-04T13:25:35.226178Z"
     }
    },
    "outputs": [
@@ -1337,7 +1343,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "1a9ed2dc",
+   "id": "27528712",
    "metadata": {},
    "source": [
     "## CIFs, out and back\n",
@@ -1348,13 +1354,13 @@
   {
    "cell_type": "code",
    "execution_count": 17,
-   "id": "9b0161ff",
+   "id": "203feaff",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:01.109262Z",
-     "iopub.status.busy": "2026-08-03T06:26:01.109166Z",
-     "iopub.status.idle": "2026-08-03T06:26:01.132755Z",
-     "shell.execute_reply": "2026-08-03T06:26:01.132380Z"
+     "iopub.execute_input": "2026-08-04T13:25:35.227703Z",
+     "iopub.status.busy": "2026-08-04T13:25:35.227587Z",
+     "iopub.status.idle": "2026-08-04T13:25:35.253296Z",
+     "shell.execute_reply": "2026-08-04T13:25:35.252759Z"
     }
    },
    "outputs": [
@@ -1377,13 +1383,13 @@
   {
    "cell_type": "code",
    "execution_count": 18,
-   "id": "62195654",
+   "id": "353adb7e",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:01.133583Z",
-     "iopub.status.busy": "2026-08-03T06:26:01.133496Z",
-     "iopub.status.idle": "2026-08-03T06:26:01.164499Z",
-     "shell.execute_reply": "2026-08-03T06:26:01.164092Z"
+     "iopub.execute_input": "2026-08-04T13:25:35.254345Z",
+     "iopub.status.busy": "2026-08-04T13:25:35.254142Z",
+     "iopub.status.idle": "2026-08-04T13:25:35.286713Z",
+     "shell.execute_reply": "2026-08-04T13:25:35.286114Z"
     }
    },
    "outputs": [
@@ -1470,7 +1476,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "903d4eda",
+   "id": "cd15e3c9",
    "metadata": {},
    "source": [
     "Out and back with the formulas intact. `to_cif` names each file from its row,\n",
@@ -1482,13 +1488,13 @@
   {
    "cell_type": "code",
    "execution_count": 19,
-   "id": "591ec71a",
+   "id": "901fedc5",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:01.165362Z",
-     "iopub.status.busy": "2026-08-03T06:26:01.165218Z",
-     "iopub.status.idle": "2026-08-03T06:26:01.168054Z",
-     "shell.execute_reply": "2026-08-03T06:26:01.167674Z"
+     "iopub.execute_input": "2026-08-04T13:25:35.287689Z",
+     "iopub.status.busy": "2026-08-04T13:25:35.287567Z",
+     "iopub.status.idle": "2026-08-04T13:25:35.290957Z",
+     "shell.execute_reply": "2026-08-04T13:25:35.290491Z"
     }
    },
    "outputs": [
@@ -1512,13 +1518,13 @@
   {
    "cell_type": "code",
    "execution_count": 20,
-   "id": "a813aad5",
+   "id": "5fe66758",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:01.168910Z",
-     "iopub.status.busy": "2026-08-03T06:26:01.168807Z",
-     "iopub.status.idle": "2026-08-03T06:26:01.171444Z",
-     "shell.execute_reply": "2026-08-03T06:26:01.171020Z"
+     "iopub.execute_input": "2026-08-04T13:25:35.291942Z",
+     "iopub.status.busy": "2026-08-04T13:25:35.291809Z",
+     "iopub.status.idle": "2026-08-04T13:25:35.294755Z",
+     "shell.execute_reply": "2026-08-04T13:25:35.294344Z"
     }
    },
    "outputs": [
@@ -1540,7 +1546,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "ba7db32f",
+   "id": "bed46eb8",
    "metadata": {},
    "source": [
     "And the object itself is an ordinary `AnnData`, so `write_h5ad` is the archive\n",
@@ -1557,13 +1563,13 @@
   {
    "cell_type": "code",
    "execution_count": 21,
-   "id": "3ef05165",
+   "id": "12718c6f",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:01.172316Z",
-     "iopub.status.busy": "2026-08-03T06:26:01.172207Z",
-     "iopub.status.idle": "2026-08-03T06:26:01.177848Z",
-     "shell.execute_reply": "2026-08-03T06:26:01.177467Z"
+     "iopub.execute_input": "2026-08-04T13:25:35.295906Z",
+     "iopub.status.busy": "2026-08-04T13:25:35.295666Z",
+     "iopub.status.idle": "2026-08-04T13:25:35.302070Z",
+     "shell.execute_reply": "2026-08-04T13:25:35.301586Z"
     }
    },
    "outputs": [
@@ -1596,13 +1602,13 @@
   {
    "cell_type": "code",
    "execution_count": 22,
-   "id": "27318bf8",
+   "id": "a6e810f5",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:01.178596Z",
-     "iopub.status.busy": "2026-08-03T06:26:01.178512Z",
-     "iopub.status.idle": "2026-08-03T06:26:01.184851Z",
-     "shell.execute_reply": "2026-08-03T06:26:01.184390Z"
+     "iopub.execute_input": "2026-08-04T13:25:35.303112Z",
+     "iopub.status.busy": "2026-08-04T13:25:35.302977Z",
+     "iopub.status.idle": "2026-08-04T13:25:35.311731Z",
+     "shell.execute_reply": "2026-08-04T13:25:35.309950Z"
     }
    },
    "outputs": [
@@ -1630,13 +1636,13 @@
   {
    "cell_type": "code",
    "execution_count": 23,
-   "id": "49b30989",
+   "id": "edff94ec",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:01.185688Z",
-     "iopub.status.busy": "2026-08-03T06:26:01.185586Z",
-     "iopub.status.idle": "2026-08-03T06:26:01.188406Z",
-     "shell.execute_reply": "2026-08-03T06:26:01.187911Z"
+     "iopub.execute_input": "2026-08-04T13:25:35.312730Z",
+     "iopub.status.busy": "2026-08-04T13:25:35.312560Z",
+     "iopub.status.idle": "2026-08-04T13:25:35.315548Z",
+     "shell.execute_reply": "2026-08-04T13:25:35.315057Z"
     }
    },
    "outputs": [
@@ -1658,7 +1664,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "62c4bec6",
+   "id": "5b519d3e",
    "metadata": {},
    "source": [
     "```{note}\n",
@@ -1673,13 +1679,13 @@
   {
    "cell_type": "code",
    "execution_count": 24,
-   "id": "da4b967c",
+   "id": "2b9b8089",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:01.189201Z",
-     "iopub.status.busy": "2026-08-03T06:26:01.189118Z",
-     "iopub.status.idle": "2026-08-03T06:26:01.191221Z",
-     "shell.execute_reply": "2026-08-03T06:26:01.190845Z"
+     "iopub.execute_input": "2026-08-04T13:25:35.316547Z",
+     "iopub.status.busy": "2026-08-04T13:25:35.316425Z",
+     "iopub.status.idle": "2026-08-04T13:25:35.318718Z",
+     "shell.execute_reply": "2026-08-04T13:25:35.318301Z"
     }
    },
    "outputs": [
@@ -1706,7 +1712,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "9b6d4dcf",
+   "id": "a89b02a7",
    "metadata": {},
    "source": [
     "```{seealso}\n",
diff --git a/matverse_guide/docs/tutorials/defects_and_diffusion.ipynb b/matverse_guide/docs/tutorials/defects_and_diffusion.ipynb
index b849637..da36304 100644
--- a/matverse_guide/docs/tutorials/defects_and_diffusion.ipynb
+++ b/matverse_guide/docs/tutorials/defects_and_diffusion.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "92af77b0",
+   "id": "1572eb2b",
    "metadata": {},
    "source": [
     "# Defects and diffusion\n",
@@ -25,13 +25,13 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "da555464",
+   "id": "558fe6bc",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:57.107086Z",
-     "iopub.status.busy": "2026-08-03T06:21:57.107007Z",
-     "iopub.status.idle": "2026-08-03T06:22:00.150501Z",
-     "shell.execute_reply": "2026-08-03T06:22:00.150047Z"
+     "iopub.execute_input": "2026-08-04T13:20:30.235389Z",
+     "iopub.status.busy": "2026-08-04T13:20:30.235279Z",
+     "iopub.status.idle": "2026-08-04T13:20:34.772640Z",
+     "shell.execute_reply": "2026-08-04T13:20:34.772006Z"
     }
    },
    "outputs": [
@@ -39,20 +39,26 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "🔬 Starting plot initialization...\n",
-      "🧪 Calculators available: 6\n",
-      "    • emt — EMT (LGPL-2.1)\n",
-      "    • lj — Lennard-Jones (LGPL-2.1)\n",
-      "    • mace-mpa — mace-mpa (unstated)\n",
-      "    • mace-omat — mace-omat (unstated)\n",
-      "    • sevennet — sevennet (unstated)\n",
-      "    • chgnet — chgnet (unstated)\n"
+      "🔬 Starting plot initialization...\n"
      ]
     },
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
+      "🧪 Calculators available: 12\n",
+      "    • emt — EMT (LGPL-2.1)\n",
+      "    • lj — Lennard-Jones (LGPL-2.1)\n",
+      "    • mace-mpa — mace-mpa (unstated)\n",
+      "    • mace-omat — mace-omat (unstated)\n",
+      "    • sevennet — sevennet (unstated)\n",
+      "    • chgnet — chgnet (unstated)\n",
+      "    • m3gnet — M3GNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • m3gnet-r2scan — M3GNet-PES-MatPES-r2SCAN-2025.2 (BSD-3-Clause)\n",
+      "    • tensornet — TensorNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • orb — ORB v3 conservative (Apache-2.0)\n",
+      "    • gpaw-pbe — GPAW PBE, PW(500 eV) (GPL-3.0)\n",
+      "    • gpaw-pbe-fast — GPAW PBE, PW(400 eV) (GPL-3.0)\n",
       "🖥️ NVIDIA CUDA GPUs: 1\n",
       "    • [CUDA 0] NVIDIA H100 80GB HBM3 — 79.1 GB, compute 9.0\n",
       "\n",
@@ -62,7 +68,7 @@
       " / / / / / / /_/ / /_ | |/ /  __/ /  (__  )  __/\n",
       "/_/ /_/ /_/\\__,_/\\__/ |___/\\___/_/  /____/\\___/\n",
       "\n",
-      "🔖 Version: 0.1.71   🧮 Functions: 213   📚 Tutorials: https://matverse.readthedocs.io/\n",
+      "🔖 Version: 0.1.71   🧮 Functions: 214   📚 Tutorials: https://matverse.readthedocs.io/\n",
       "✅ set_style complete.\n",
       "\n"
      ]
@@ -78,7 +84,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "988bcf1b",
+   "id": "c4e3ce50",
    "metadata": {},
    "source": [
     "## Loading a dataset\n",
@@ -90,13 +96,13 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "68e24c31",
+   "id": "d52d2ccb",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:00.151770Z",
-     "iopub.status.busy": "2026-08-03T06:22:00.151521Z",
-     "iopub.status.idle": "2026-08-03T06:22:00.200755Z",
-     "shell.execute_reply": "2026-08-03T06:22:00.200364Z"
+     "iopub.execute_input": "2026-08-04T13:20:34.774044Z",
+     "iopub.status.busy": "2026-08-04T13:20:34.773575Z",
+     "iopub.status.idle": "2026-08-04T13:20:34.789335Z",
+     "shell.execute_reply": "2026-08-04T13:20:34.788846Z"
     }
    },
    "outputs": [
@@ -158,7 +164,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b138a0d2",
+   "id": "2c056282",
    "metadata": {},
    "source": [
     "### Two ways to deform a cell before you break it\n",
@@ -172,13 +178,13 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "11c29659",
+   "id": "5734a394",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:00.201629Z",
-     "iopub.status.busy": "2026-08-03T06:22:00.201532Z",
-     "iopub.status.idle": "2026-08-03T06:22:00.207071Z",
-     "shell.execute_reply": "2026-08-03T06:22:00.206686Z"
+     "iopub.execute_input": "2026-08-04T13:20:34.790309Z",
+     "iopub.status.busy": "2026-08-04T13:20:34.790200Z",
+     "iopub.status.idle": "2026-08-04T13:20:34.796568Z",
+     "shell.execute_reply": "2026-08-04T13:20:34.796049Z"
     }
    },
    "outputs": [
@@ -203,13 +209,13 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "388bea47",
+   "id": "2a200de7",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:00.207854Z",
-     "iopub.status.busy": "2026-08-03T06:22:00.207766Z",
-     "iopub.status.idle": "2026-08-03T06:22:00.211188Z",
-     "shell.execute_reply": "2026-08-03T06:22:00.210814Z"
+     "iopub.execute_input": "2026-08-04T13:20:34.797564Z",
+     "iopub.status.busy": "2026-08-04T13:20:34.797438Z",
+     "iopub.status.idle": "2026-08-04T13:20:34.801213Z",
+     "shell.execute_reply": "2026-08-04T13:20:34.800774Z"
     }
    },
    "outputs": [
@@ -230,7 +236,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "5025279b",
+   "id": "b2154b4b",
    "metadata": {},
    "source": [
     "## Enumerating the defects\n",
@@ -244,13 +250,13 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "6fe402d8",
+   "id": "162753ce",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:00.211961Z",
-     "iopub.status.busy": "2026-08-03T06:22:00.211872Z",
-     "iopub.status.idle": "2026-08-03T06:22:00.252947Z",
-     "shell.execute_reply": "2026-08-03T06:22:00.252558Z"
+     "iopub.execute_input": "2026-08-04T13:20:34.802418Z",
+     "iopub.status.busy": "2026-08-04T13:20:34.802293Z",
+     "iopub.status.idle": "2026-08-04T13:20:34.848599Z",
+     "shell.execute_reply": "2026-08-04T13:20:34.847880Z"
     }
    },
    "outputs": [
@@ -314,7 +320,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e6fde36b",
+   "id": "1685054c",
    "metadata": {},
    "source": [
     "```{note}\n",
@@ -335,13 +341,13 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "2bf0ed74",
+   "id": "ec33fa86",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:00.253784Z",
-     "iopub.status.busy": "2026-08-03T06:22:00.253692Z",
-     "iopub.status.idle": "2026-08-03T06:22:00.382178Z",
-     "shell.execute_reply": "2026-08-03T06:22:00.381748Z"
+     "iopub.execute_input": "2026-08-04T13:20:34.849712Z",
+     "iopub.status.busy": "2026-08-04T13:20:34.849570Z",
+     "iopub.status.idle": "2026-08-04T13:20:34.902451Z",
+     "shell.execute_reply": "2026-08-04T13:20:34.901640Z"
     }
    },
    "outputs": [
@@ -401,7 +407,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b36d92d3",
+   "id": "7c47a8eb",
    "metadata": {},
    "source": [
     "```{note}\n",
@@ -420,7 +426,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "5c867341",
+   "id": "de87e634",
    "metadata": {},
    "source": [
     "### Two kinds that are not a site you already have\n",
@@ -438,13 +444,13 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "427aeabb",
+   "id": "35332e8a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:00.383108Z",
-     "iopub.status.busy": "2026-08-03T06:22:00.382963Z",
-     "iopub.status.idle": "2026-08-03T06:22:02.796921Z",
-     "shell.execute_reply": "2026-08-03T06:22:02.796474Z"
+     "iopub.execute_input": "2026-08-04T13:20:34.903963Z",
+     "iopub.status.busy": "2026-08-04T13:20:34.903512Z",
+     "iopub.status.idle": "2026-08-04T13:20:37.036316Z",
+     "shell.execute_reply": "2026-08-04T13:20:37.035517Z"
     }
    },
    "outputs": [
@@ -479,22 +485,22 @@
        "    <tr>\n",
        "      <th>0</th>\n",
        "      <td>antisite</td>\n",
-       "      <td>P</td>\n",
        "      <td>O</td>\n",
+       "      <td>P</td>\n",
        "      <td>168</td>\n",
        "    </tr>\n",
        "    <tr>\n",
        "      <th>1</th>\n",
        "      <td>antisite</td>\n",
+       "      <td>O</td>\n",
        "      <td>P</td>\n",
-       "      <td>Li</td>\n",
        "      <td>168</td>\n",
        "    </tr>\n",
        "    <tr>\n",
        "      <th>2</th>\n",
        "      <td>antisite</td>\n",
+       "      <td>O</td>\n",
        "      <td>P</td>\n",
-       "      <td>Fe</td>\n",
        "      <td>168</td>\n",
        "    </tr>\n",
        "    <tr>\n",
@@ -508,14 +514,14 @@
        "      <th>4</th>\n",
        "      <td>antisite</td>\n",
        "      <td>O</td>\n",
-       "      <td>P</td>\n",
+       "      <td>Fe</td>\n",
        "      <td>168</td>\n",
        "    </tr>\n",
        "    <tr>\n",
        "      <th>5</th>\n",
        "      <td>antisite</td>\n",
        "      <td>O</td>\n",
-       "      <td>P</td>\n",
+       "      <td>Fe</td>\n",
        "      <td>168</td>\n",
        "    </tr>\n",
        "  </tbody>\n",
@@ -524,12 +530,12 @@
       ],
       "text/plain": [
        "     defect removed added  nsites\n",
-       "0  antisite       P     O     168\n",
-       "1  antisite       P    Li     168\n",
-       "2  antisite       P    Fe     168\n",
+       "0  antisite       O     P     168\n",
+       "1  antisite       O     P     168\n",
+       "2  antisite       O     P     168\n",
        "3  antisite       O     P     168\n",
-       "4  antisite       O     P     168\n",
-       "5  antisite       O     P     168"
+       "4  antisite       O    Fe     168\n",
+       "5  antisite       O    Fe     168"
       ]
      },
      "execution_count": 7,
@@ -548,7 +554,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "891a15f4",
+   "id": "a25145f9",
    "metadata": {},
    "source": [
     "Twenty-four antisites from a four-species cathode, each an ordered swap — Fe on\n",
@@ -561,13 +567,13 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "3d59d7d9",
+   "id": "0dd6472b",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:02.797833Z",
-     "iopub.status.busy": "2026-08-03T06:22:02.797732Z",
-     "iopub.status.idle": "2026-08-03T06:22:12.010223Z",
-     "shell.execute_reply": "2026-08-03T06:22:12.009681Z"
+     "iopub.execute_input": "2026-08-04T13:20:37.037625Z",
+     "iopub.status.busy": "2026-08-04T13:20:37.037480Z",
+     "iopub.status.idle": "2026-08-04T13:20:46.637281Z",
+     "shell.execute_reply": "2026-08-04T13:20:46.636642Z"
     }
    },
    "outputs": [
@@ -648,7 +654,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "71aac75c",
+   "id": "c1d9470e",
    "metadata": {},
    "source": [
     "One more atom than the host supercell, which is what an interstitial is.\n",
@@ -663,7 +669,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "67dc2f70",
+   "id": "d80df820",
    "metadata": {},
    "source": [
     "The raw energy of a cell with one atom missing is not a formation energy. A\n",
@@ -679,13 +685,13 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "b9d3479a",
+   "id": "3a70e1d8",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:12.011376Z",
-     "iopub.status.busy": "2026-08-03T06:22:12.011266Z",
-     "iopub.status.idle": "2026-08-03T06:22:12.061628Z",
-     "shell.execute_reply": "2026-08-03T06:22:12.061259Z"
+     "iopub.execute_input": "2026-08-04T13:20:46.642499Z",
+     "iopub.status.busy": "2026-08-04T13:20:46.642254Z",
+     "iopub.status.idle": "2026-08-04T13:20:46.704446Z",
+     "shell.execute_reply": "2026-08-04T13:20:46.703492Z"
     }
    },
    "outputs": [
@@ -706,7 +712,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b42c25c5",
+   "id": "b8bbe90a",
    "metadata": {},
    "source": [
     "An elemental solid has no window — copper in equilibrium with copper fixes its\n",
@@ -718,13 +724,13 @@
   {
    "cell_type": "code",
    "execution_count": 10,
-   "id": "0e5f1e7d",
+   "id": "4af5e6e4",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:12.062627Z",
-     "iopub.status.busy": "2026-08-03T06:22:12.062532Z",
-     "iopub.status.idle": "2026-08-03T06:22:12.065603Z",
-     "shell.execute_reply": "2026-08-03T06:22:12.065250Z"
+     "iopub.execute_input": "2026-08-04T13:20:46.705999Z",
+     "iopub.status.busy": "2026-08-04T13:20:46.705768Z",
+     "iopub.status.idle": "2026-08-04T13:20:46.711301Z",
+     "shell.execute_reply": "2026-08-04T13:20:46.710130Z"
     }
    },
    "outputs": [
@@ -751,7 +757,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "61371ceb",
+   "id": "29c85ceb",
    "metadata": {},
    "source": [
     "**1.314 eV**, against roughly 1.3 eV measured for copper by positron\n",
@@ -776,13 +782,13 @@
   {
    "cell_type": "code",
    "execution_count": 11,
-   "id": "6eee5f8e",
+   "id": "d1e69cde",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:12.066458Z",
-     "iopub.status.busy": "2026-08-03T06:22:12.066317Z",
-     "iopub.status.idle": "2026-08-03T06:22:12.070480Z",
-     "shell.execute_reply": "2026-08-03T06:22:12.070140Z"
+     "iopub.execute_input": "2026-08-04T13:20:46.712513Z",
+     "iopub.status.busy": "2026-08-04T13:20:46.712371Z",
+     "iopub.status.idle": "2026-08-04T13:20:46.717965Z",
+     "shell.execute_reply": "2026-08-04T13:20:46.717473Z"
     }
    },
    "outputs": [
@@ -809,13 +815,13 @@
   {
    "cell_type": "code",
    "execution_count": 12,
-   "id": "6899084d",
+   "id": "e9ee37e2",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:12.071275Z",
-     "iopub.status.busy": "2026-08-03T06:22:12.071178Z",
-     "iopub.status.idle": "2026-08-03T06:22:12.204492Z",
-     "shell.execute_reply": "2026-08-03T06:22:12.204068Z"
+     "iopub.execute_input": "2026-08-04T13:20:46.719477Z",
+     "iopub.status.busy": "2026-08-04T13:20:46.719342Z",
+     "iopub.status.idle": "2026-08-04T13:20:46.867866Z",
+     "shell.execute_reply": "2026-08-04T13:20:46.867583Z"
     }
    },
    "outputs": [
@@ -859,13 +865,13 @@
   {
    "cell_type": "code",
    "execution_count": 13,
-   "id": "b7062a93",
+   "id": "dcc916e5",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:12.205416Z",
-     "iopub.status.busy": "2026-08-03T06:22:12.205314Z",
-     "iopub.status.idle": "2026-08-03T06:22:12.210464Z",
-     "shell.execute_reply": "2026-08-03T06:22:12.209989Z"
+     "iopub.execute_input": "2026-08-04T13:20:46.870082Z",
+     "iopub.status.busy": "2026-08-04T13:20:46.869576Z",
+     "iopub.status.idle": "2026-08-04T13:20:46.876445Z",
+     "shell.execute_reply": "2026-08-04T13:20:46.875692Z"
     }
    },
    "outputs": [
@@ -923,7 +929,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "9497f20d",
+   "id": "d915dd74",
    "metadata": {},
    "source": [
     "Each straight segment is one charge state, and its slope is the charge; the\n",
@@ -948,7 +954,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "eb3f8e15",
+   "id": "ed906529",
    "metadata": {},
    "source": [
     "### The charged states are lying, and by how much\n",
@@ -966,13 +972,13 @@
   {
    "cell_type": "code",
    "execution_count": 14,
-   "id": "2f7e7603",
+   "id": "ac87803f",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:12.211281Z",
-     "iopub.status.busy": "2026-08-03T06:22:12.211181Z",
-     "iopub.status.idle": "2026-08-03T06:22:12.292247Z",
-     "shell.execute_reply": "2026-08-03T06:22:12.291763Z"
+     "iopub.execute_input": "2026-08-04T13:20:46.877625Z",
+     "iopub.status.busy": "2026-08-04T13:20:46.877491Z",
+     "iopub.status.idle": "2026-08-04T13:20:47.213548Z",
+     "shell.execute_reply": "2026-08-04T13:20:47.212637Z"
     }
    },
    "outputs": [
@@ -1009,7 +1015,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "410d60b6",
+   "id": "16428a57",
    "metadata": {},
    "source": [
     "Zero shift at the valence band maximum and a growing one across the gap, which\n",
@@ -1056,7 +1062,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "37fa7df6",
+   "id": "998abcc2",
    "metadata": {},
    "source": [
     "## What it costs to move\n",
@@ -1071,13 +1077,13 @@
   {
    "cell_type": "code",
    "execution_count": 15,
-   "id": "6bf5aefe",
+   "id": "160ec3e6",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:12.293141Z",
-     "iopub.status.busy": "2026-08-03T06:22:12.293040Z",
-     "iopub.status.idle": "2026-08-03T06:22:12.302541Z",
-     "shell.execute_reply": "2026-08-03T06:22:12.302136Z"
+     "iopub.execute_input": "2026-08-04T13:20:47.214823Z",
+     "iopub.status.busy": "2026-08-04T13:20:47.214684Z",
+     "iopub.status.idle": "2026-08-04T13:20:47.224650Z",
+     "shell.execute_reply": "2026-08-04T13:20:47.224117Z"
     }
    },
    "outputs": [
@@ -1134,7 +1140,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "3538f85d",
+   "id": "33858abc",
    "metadata": {},
    "source": [
     "2.556 Å is the nearest-neighbour distance in copper, `a/√2`, which is what a\n",
@@ -1158,13 +1164,13 @@
   {
    "cell_type": "code",
    "execution_count": 16,
-   "id": "5851b75b",
+   "id": "b84e80de",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:12.303380Z",
-     "iopub.status.busy": "2026-08-03T06:22:12.303288Z",
-     "iopub.status.idle": "2026-08-03T06:22:12.339977Z",
-     "shell.execute_reply": "2026-08-03T06:22:12.339539Z"
+     "iopub.execute_input": "2026-08-04T13:20:47.225961Z",
+     "iopub.status.busy": "2026-08-04T13:20:47.225847Z",
+     "iopub.status.idle": "2026-08-04T13:20:47.262837Z",
+     "shell.execute_reply": "2026-08-04T13:20:47.262377Z"
     }
    },
    "outputs": [
@@ -1197,7 +1203,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "de2427e5",
+   "id": "02f888ef",
    "metadata": {},
    "source": [
     "`key_added` matters here. Without it the second relaxation would overwrite the\n",
@@ -1213,13 +1219,13 @@
   {
    "cell_type": "code",
    "execution_count": 17,
-   "id": "3f9e1b4f",
+   "id": "3dbe1ed9",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:12.340845Z",
-     "iopub.status.busy": "2026-08-03T06:22:12.340754Z",
-     "iopub.status.idle": "2026-08-03T06:22:13.335838Z",
-     "shell.execute_reply": "2026-08-03T06:22:13.335431Z"
+     "iopub.execute_input": "2026-08-04T13:20:47.264324Z",
+     "iopub.status.busy": "2026-08-04T13:20:47.264093Z",
+     "iopub.status.idle": "2026-08-04T13:20:48.255090Z",
+     "shell.execute_reply": "2026-08-04T13:20:48.254569Z"
     }
    },
    "outputs": [
@@ -1282,7 +1288,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b7d50e0e",
+   "id": "69c6c32c",
    "metadata": {},
    "source": [
     "**0.754 eV against a literature value of about 0.70 eV.** For a potential that\n",
@@ -1305,13 +1311,13 @@
   {
    "cell_type": "code",
    "execution_count": 18,
-   "id": "152a9c9b",
+   "id": "d5c5cd50",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:13.337150Z",
-     "iopub.status.busy": "2026-08-03T06:22:13.337050Z",
-     "iopub.status.idle": "2026-08-03T06:22:13.463772Z",
-     "shell.execute_reply": "2026-08-03T06:22:13.463365Z"
+     "iopub.execute_input": "2026-08-04T13:20:48.256191Z",
+     "iopub.status.busy": "2026-08-04T13:20:48.256065Z",
+     "iopub.status.idle": "2026-08-04T13:20:48.387669Z",
+     "shell.execute_reply": "2026-08-04T13:20:48.387161Z"
     }
    },
    "outputs": [
@@ -1349,7 +1355,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "40787163",
+   "id": "24ffa657",
    "metadata": {},
    "source": [
     "The path rises to a single saddle and comes back down, which is what a\n",
@@ -1373,13 +1379,13 @@
   {
    "cell_type": "code",
    "execution_count": 19,
-   "id": "3b1d51c1",
+   "id": "8c79b449",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:13.464655Z",
-     "iopub.status.busy": "2026-08-03T06:22:13.464561Z",
-     "iopub.status.idle": "2026-08-03T06:22:13.470520Z",
-     "shell.execute_reply": "2026-08-03T06:22:13.470153Z"
+     "iopub.execute_input": "2026-08-04T13:20:48.388988Z",
+     "iopub.status.busy": "2026-08-04T13:20:48.388851Z",
+     "iopub.status.idle": "2026-08-04T13:20:48.395159Z",
+     "shell.execute_reply": "2026-08-04T13:20:48.394664Z"
     }
    },
    "outputs": [
@@ -1474,13 +1480,13 @@
   {
    "cell_type": "code",
    "execution_count": 20,
-   "id": "8795e9f6",
+   "id": "c94b3794",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:13.471280Z",
-     "iopub.status.busy": "2026-08-03T06:22:13.471186Z",
-     "iopub.status.idle": "2026-08-03T06:22:13.861872Z",
-     "shell.execute_reply": "2026-08-03T06:22:13.861499Z"
+     "iopub.execute_input": "2026-08-04T13:20:48.396267Z",
+     "iopub.status.busy": "2026-08-04T13:20:48.396124Z",
+     "iopub.status.idle": "2026-08-04T13:20:48.619903Z",
+     "shell.execute_reply": "2026-08-04T13:20:48.619593Z"
     }
    },
    "outputs": [
@@ -1520,7 +1526,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "af960728",
+   "id": "d61a99bf",
    "metadata": {},
    "source": [
     "A straight line on this plot is the definition of Arrhenius behaviour, and its\n",
@@ -1540,7 +1546,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "d922777d",
+   "id": "cfd82451",
    "metadata": {},
    "source": [
     "## Which barriers are actually worth computing?\n",
@@ -1556,13 +1562,13 @@
   {
    "cell_type": "code",
    "execution_count": 21,
-   "id": "97d4291b",
+   "id": "49afe235",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:13.862886Z",
-     "iopub.status.busy": "2026-08-03T06:22:13.862792Z",
-     "iopub.status.idle": "2026-08-03T06:22:14.214295Z",
-     "shell.execute_reply": "2026-08-03T06:22:14.213764Z"
+     "iopub.execute_input": "2026-08-04T13:20:48.626209Z",
+     "iopub.status.busy": "2026-08-04T13:20:48.625937Z",
+     "iopub.status.idle": "2026-08-04T13:20:48.990181Z",
+     "shell.execute_reply": "2026-08-04T13:20:48.988875Z"
     }
    },
    "outputs": [
@@ -1636,7 +1642,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "fcc680b3",
+   "id": "e00a6476",
    "metadata": {},
    "source": [
     "One hop each. Close-packed lithium has twelve neighbours and they are all the\n",
@@ -1652,13 +1658,13 @@
   {
    "cell_type": "code",
    "execution_count": 22,
-   "id": "ab221445",
+   "id": "baa07ec9",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:14.215350Z",
-     "iopub.status.busy": "2026-08-03T06:22:14.215231Z",
-     "iopub.status.idle": "2026-08-03T06:22:14.229352Z",
-     "shell.execute_reply": "2026-08-03T06:22:14.228955Z"
+     "iopub.execute_input": "2026-08-04T13:20:48.991620Z",
+     "iopub.status.busy": "2026-08-04T13:20:48.991480Z",
+     "iopub.status.idle": "2026-08-04T13:20:49.006315Z",
+     "shell.execute_reply": "2026-08-04T13:20:49.005811Z"
     }
    },
    "outputs": [
@@ -1724,7 +1730,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "2395db53",
+   "id": "4637e544",
    "metadata": {},
    "source": [
     "Stretching *c* separates the twelve neighbours into four in the basal plane at\n",
@@ -1749,7 +1755,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "6425a4d6",
+   "id": "359c76c2",
    "metadata": {},
    "source": [
     "## Before the barrier: can the ion get out at all?\n",
@@ -1773,13 +1779,13 @@
   {
    "cell_type": "code",
    "execution_count": 23,
-   "id": "36517168",
+   "id": "b930f2af",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:14.230175Z",
-     "iopub.status.busy": "2026-08-03T06:22:14.230086Z",
-     "iopub.status.idle": "2026-08-03T06:22:14.584497Z",
-     "shell.execute_reply": "2026-08-03T06:22:14.583961Z"
+     "iopub.execute_input": "2026-08-04T13:20:49.007414Z",
+     "iopub.status.busy": "2026-08-04T13:20:49.007297Z",
+     "iopub.status.idle": "2026-08-04T13:20:49.368173Z",
+     "shell.execute_reply": "2026-08-04T13:20:49.367681Z"
     }
    },
    "outputs": [
@@ -1870,7 +1876,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "4ce9acb5",
+   "id": "3bbc7b14",
    "metadata": {},
    "source": [
     "**3 against 2**, which is the textbook difference between the two: spinel\n",
@@ -1890,13 +1896,13 @@
   {
    "cell_type": "code",
    "execution_count": 24,
-   "id": "56f3dd55",
+   "id": "a898507c",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:14.585502Z",
-     "iopub.status.busy": "2026-08-03T06:22:14.585406Z",
-     "iopub.status.idle": "2026-08-03T06:22:14.706458Z",
-     "shell.execute_reply": "2026-08-03T06:22:14.705864Z"
+     "iopub.execute_input": "2026-08-04T13:20:49.369282Z",
+     "iopub.status.busy": "2026-08-04T13:20:49.369175Z",
+     "iopub.status.idle": "2026-08-04T13:20:49.491264Z",
+     "shell.execute_reply": "2026-08-04T13:20:49.490541Z"
     }
    },
    "outputs": [
@@ -1979,7 +1985,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "3f0817b1",
+   "id": "50831770",
    "metadata": {},
    "source": [
     "Allow a 5 Å hop and the layered oxide becomes three-dimensional too, because\n",
@@ -1997,7 +2003,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "66c40919",
+   "id": "2b0c183c",
    "metadata": {},
    "source": [
     "## Handing the hop to DFT\n",
@@ -2011,13 +2017,13 @@
   {
    "cell_type": "code",
    "execution_count": 25,
-   "id": "2c434fcf",
+   "id": "931f43af",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:14.707530Z",
-     "iopub.status.busy": "2026-08-03T06:22:14.707425Z",
-     "iopub.status.idle": "2026-08-03T06:22:14.726313Z",
-     "shell.execute_reply": "2026-08-03T06:22:14.725913Z"
+     "iopub.execute_input": "2026-08-04T13:20:49.492554Z",
+     "iopub.status.busy": "2026-08-04T13:20:49.492415Z",
+     "iopub.status.idle": "2026-08-04T13:20:49.523469Z",
+     "shell.execute_reply": "2026-08-04T13:20:49.522998Z"
     }
    },
    "outputs": [
@@ -2046,7 +2052,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "1f3ddde2",
+   "id": "b6bd9b4a",
    "metadata": {},
    "source": [
     "Two of those settings are the reason to use a preset rather than write the file\n",
@@ -2063,7 +2069,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "93e84cd5",
+   "id": "0b505ac1",
    "metadata": {},
    "source": [
     "## Finding a defect somebody else made\n",
@@ -2080,13 +2086,13 @@
   {
    "cell_type": "code",
    "execution_count": 26,
-   "id": "ed76b905",
+   "id": "db23d97d",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:14.727166Z",
-     "iopub.status.busy": "2026-08-03T06:22:14.727078Z",
-     "iopub.status.idle": "2026-08-03T06:22:14.743519Z",
-     "shell.execute_reply": "2026-08-03T06:22:14.743141Z"
+     "iopub.execute_input": "2026-08-04T13:20:49.524945Z",
+     "iopub.status.busy": "2026-08-04T13:20:49.524837Z",
+     "iopub.status.idle": "2026-08-04T13:20:49.565709Z",
+     "shell.execute_reply": "2026-08-04T13:20:49.565226Z"
     }
    },
    "outputs": [
@@ -2129,7 +2135,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f0a67dac",
+   "id": "4f55f1e3",
    "metadata": {},
    "source": [
     "The vacancy comes back at the coordinates it was made at, from a cell whose\n",
@@ -2151,7 +2157,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "51dce66a",
+   "id": "56b2ddd0",
    "metadata": {},
    "source": [
     "## The curve a charge state leaves behind\n",
@@ -2169,13 +2175,13 @@
   {
    "cell_type": "code",
    "execution_count": 27,
-   "id": "c3890a6b",
+   "id": "88e36a43",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:14.744352Z",
-     "iopub.status.busy": "2026-08-03T06:22:14.744262Z",
-     "iopub.status.idle": "2026-08-03T06:22:14.753858Z",
-     "shell.execute_reply": "2026-08-03T06:22:14.752574Z"
+     "iopub.execute_input": "2026-08-04T13:20:49.566792Z",
+     "iopub.status.busy": "2026-08-04T13:20:49.566666Z",
+     "iopub.status.idle": "2026-08-04T13:20:49.575709Z",
+     "shell.execute_reply": "2026-08-04T13:20:49.575218Z"
     }
    },
    "outputs": [
@@ -2215,7 +2221,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "2b755512",
+   "id": "db9a8ab8",
    "metadata": {},
    "source": [
     "The frequency is $\\hbar\\sqrt{c}$ with the mass-weighted units carried\n",
@@ -2241,7 +2247,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "daf75b95",
+   "id": "c3149390",
    "metadata": {},
    "source": [
     "## Is it a killer?\n",
@@ -2258,13 +2264,13 @@
   {
    "cell_type": "code",
    "execution_count": 28,
-   "id": "554d394a",
+   "id": "dfaab364",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:14.754706Z",
-     "iopub.status.busy": "2026-08-03T06:22:14.754606Z",
-     "iopub.status.idle": "2026-08-03T06:22:16.485143Z",
-     "shell.execute_reply": "2026-08-03T06:22:16.484377Z"
+     "iopub.execute_input": "2026-08-04T13:20:49.576697Z",
+     "iopub.status.busy": "2026-08-04T13:20:49.576591Z",
+     "iopub.status.idle": "2026-08-04T13:20:51.323392Z",
+     "shell.execute_reply": "2026-08-04T13:20:51.322833Z"
     }
    },
    "outputs": [
@@ -2335,7 +2341,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f800c561",
+   "id": "995e33d2",
    "metadata": {},
    "source": [
     "Doubling the electron–phonon matrix element multiplies the capture rate by\n",
@@ -2349,13 +2355,13 @@
   {
    "cell_type": "code",
    "execution_count": 29,
-   "id": "33e1f2b1",
+   "id": "b69378a8",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:16.486896Z",
-     "iopub.status.busy": "2026-08-03T06:22:16.486728Z",
-     "iopub.status.idle": "2026-08-03T06:22:21.907728Z",
-     "shell.execute_reply": "2026-08-03T06:22:21.907197Z"
+     "iopub.execute_input": "2026-08-04T13:20:51.324865Z",
+     "iopub.status.busy": "2026-08-04T13:20:51.324728Z",
+     "iopub.status.idle": "2026-08-04T13:20:56.826930Z",
+     "shell.execute_reply": "2026-08-04T13:20:56.826338Z"
     }
    },
    "outputs": [
@@ -2420,7 +2426,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "2cc0b8f3",
+   "id": "6c50c4b3",
    "metadata": {},
    "source": [
     "Orders of magnitude across a few hundred kelvin, which is why a capture\n",
@@ -2444,7 +2450,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b5fe605c",
+   "id": "27159be4",
    "metadata": {},
    "source": [
     "## What the object remembers"
@@ -2453,13 +2459,13 @@
   {
    "cell_type": "code",
    "execution_count": 30,
-   "id": "8a191838",
+   "id": "82589868",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:21.908806Z",
-     "iopub.status.busy": "2026-08-03T06:22:21.908703Z",
-     "iopub.status.idle": "2026-08-03T06:22:21.910997Z",
-     "shell.execute_reply": "2026-08-03T06:22:21.910670Z"
+     "iopub.execute_input": "2026-08-04T13:20:56.828394Z",
+     "iopub.status.busy": "2026-08-04T13:20:56.828224Z",
+     "iopub.status.idle": "2026-08-04T13:20:56.832030Z",
+     "shell.execute_reply": "2026-08-04T13:20:56.831441Z"
     }
    },
    "outputs": [
@@ -2488,7 +2494,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b05b2e5e",
+   "id": "d9a11183",
    "metadata": {},
    "source": [
     "```{seealso}\n",
diff --git a/matverse_guide/docs/tutorials/disorder.ipynb b/matverse_guide/docs/tutorials/disorder.ipynb
index 60a2731..4f02b1e 100644
--- a/matverse_guide/docs/tutorials/disorder.ipynb
+++ b/matverse_guide/docs/tutorials/disorder.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "e086e6c7",
+   "id": "e7355649",
    "metadata": {},
    "source": [
     "# Disorder\n",
@@ -24,13 +24,13 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "59726079",
+   "id": "9120e5fb",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:47.472807Z",
-     "iopub.status.busy": "2026-08-03T06:24:47.472727Z",
-     "iopub.status.idle": "2026-08-03T06:24:50.558192Z",
-     "shell.execute_reply": "2026-08-03T06:24:50.557728Z"
+     "iopub.execute_input": "2026-08-04T13:23:58.393161Z",
+     "iopub.status.busy": "2026-08-04T13:23:58.393081Z",
+     "iopub.status.idle": "2026-08-04T13:24:04.188517Z",
+     "shell.execute_reply": "2026-08-04T13:24:04.187974Z"
     }
    },
    "outputs": [
@@ -38,20 +38,26 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "🔬 Starting plot initialization...\n",
-      "🧪 Calculators available: 6\n",
-      "    • emt — EMT (LGPL-2.1)\n",
-      "    • lj — Lennard-Jones (LGPL-2.1)\n",
-      "    • mace-mpa — mace-mpa (unstated)\n",
-      "    • mace-omat — mace-omat (unstated)\n",
-      "    • sevennet — sevennet (unstated)\n",
-      "    • chgnet — chgnet (unstated)\n"
+      "🔬 Starting plot initialization...\n"
      ]
     },
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
+      "🧪 Calculators available: 12\n",
+      "    • emt — EMT (LGPL-2.1)\n",
+      "    • lj — Lennard-Jones (LGPL-2.1)\n",
+      "    • mace-mpa — mace-mpa (unstated)\n",
+      "    • mace-omat — mace-omat (unstated)\n",
+      "    • sevennet — sevennet (unstated)\n",
+      "    • chgnet — chgnet (unstated)\n",
+      "    • m3gnet — M3GNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • m3gnet-r2scan — M3GNet-PES-MatPES-r2SCAN-2025.2 (BSD-3-Clause)\n",
+      "    • tensornet — TensorNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • orb — ORB v3 conservative (Apache-2.0)\n",
+      "    • gpaw-pbe — GPAW PBE, PW(500 eV) (GPL-3.0)\n",
+      "    • gpaw-pbe-fast — GPAW PBE, PW(400 eV) (GPL-3.0)\n",
       "🖥️ NVIDIA CUDA GPUs: 1\n",
       "    • [CUDA 0] NVIDIA H100 80GB HBM3 — 79.1 GB, compute 9.0\n",
       "\n",
@@ -61,7 +67,7 @@
       " / / / / / / /_/ / /_ | |/ /  __/ /  (__  )  __/\n",
       "/_/ /_/ /_/\\__,_/\\__/ |___/\\___/_/  /____/\\___/\n",
       "\n",
-      "🔖 Version: 0.1.71   🧮 Functions: 213   📚 Tutorials: https://matverse.readthedocs.io/\n",
+      "🔖 Version: 0.1.71   🧮 Functions: 214   📚 Tutorials: https://matverse.readthedocs.io/\n",
       "✅ set_style complete.\n",
       "\n"
      ]
@@ -77,7 +83,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e36295be",
+   "id": "86e6bbc7",
    "metadata": {},
    "source": [
     "## Loading a dataset\n",
@@ -90,13 +96,13 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "f7d03fb0",
+   "id": "01256df1",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:50.559352Z",
-     "iopub.status.busy": "2026-08-03T06:24:50.559097Z",
-     "iopub.status.idle": "2026-08-03T06:24:50.615623Z",
-     "shell.execute_reply": "2026-08-03T06:24:50.615005Z"
+     "iopub.execute_input": "2026-08-04T13:24:04.190047Z",
+     "iopub.status.busy": "2026-08-04T13:24:04.189671Z",
+     "iopub.status.idle": "2026-08-04T13:24:04.216825Z",
+     "shell.execute_reply": "2026-08-04T13:24:04.216271Z"
     }
    },
    "outputs": [
@@ -183,7 +189,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "aab7478e",
+   "id": "520618cc",
    "metadata": {},
    "source": [
     "Note that `mv.pp.describe` reports a formula for all three — a disordered cell\n",
@@ -195,13 +201,13 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "687eccf0",
+   "id": "a9613dc0",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:50.616642Z",
-     "iopub.status.busy": "2026-08-03T06:24:50.616525Z",
-     "iopub.status.idle": "2026-08-03T06:24:50.623396Z",
-     "shell.execute_reply": "2026-08-03T06:24:50.622977Z"
+     "iopub.execute_input": "2026-08-04T13:24:04.217991Z",
+     "iopub.status.busy": "2026-08-04T13:24:04.217849Z",
+     "iopub.status.idle": "2026-08-04T13:24:04.227253Z",
+     "shell.execute_reply": "2026-08-04T13:24:04.226831Z"
     }
    },
    "outputs": [
@@ -292,7 +298,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a28cd256",
+   "id": "5a9d9f3e",
    "metadata": {},
    "source": [
     "`max_site_disorder` is how far the worst site is from having a single owner:\n",
@@ -309,13 +315,13 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "f50fddb7",
+   "id": "1982e554",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:50.624219Z",
-     "iopub.status.busy": "2026-08-03T06:24:50.624128Z",
-     "iopub.status.idle": "2026-08-03T06:24:50.628855Z",
-     "shell.execute_reply": "2026-08-03T06:24:50.628494Z"
+     "iopub.execute_input": "2026-08-04T13:24:04.228469Z",
+     "iopub.status.busy": "2026-08-04T13:24:04.228339Z",
+     "iopub.status.idle": "2026-08-04T13:24:04.234663Z",
+     "shell.execute_reply": "2026-08-04T13:24:04.234216Z"
     }
    },
    "outputs": [
@@ -391,7 +397,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "78bdeb2f",
+   "id": "4ad5a4a4",
    "metadata": {},
    "source": [
     "Exact. And the consequence is the interesting part."
@@ -400,20 +406,20 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "cee9377f",
+   "id": "bd35ce90",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:50.629611Z",
-     "iopub.status.busy": "2026-08-03T06:24:50.629525Z",
-     "iopub.status.idle": "2026-08-03T06:24:50.783882Z",
-     "shell.execute_reply": "2026-08-03T06:24:50.783443Z"
+     "iopub.execute_input": "2026-08-04T13:24:04.235817Z",
+     "iopub.status.busy": "2026-08-04T13:24:04.235683Z",
+     "iopub.status.idle": "2026-08-04T13:24:04.413452Z",
+     "shell.execute_reply": "2026-08-04T13:24:04.412953Z"
     }
    },
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "<matplotlib.legend.Legend at 0x7fa3dcc55ee0>"
+       "<matplotlib.legend.Legend at 0x7f03d9e13f20>"
       ]
      },
      "execution_count": 5,
@@ -454,7 +460,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "70f5644e",
+   "id": "e671da81",
    "metadata": {},
    "source": [
     "At room temperature the entropy term is tens of meV and usually ignorable. At a\n",
@@ -483,13 +489,13 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "7b21f065",
+   "id": "17e85f95",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:50.784773Z",
-     "iopub.status.busy": "2026-08-03T06:24:50.784675Z",
-     "iopub.status.idle": "2026-08-03T06:24:51.783875Z",
-     "shell.execute_reply": "2026-08-03T06:24:51.783413Z"
+     "iopub.execute_input": "2026-08-04T13:24:04.414724Z",
+     "iopub.status.busy": "2026-08-04T13:24:04.414577Z",
+     "iopub.status.idle": "2026-08-04T13:24:05.102882Z",
+     "shell.execute_reply": "2026-08-04T13:24:05.102434Z"
     }
    },
    "outputs": [
@@ -609,13 +615,13 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "8453e3a6",
+   "id": "7067cef0",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:51.785237Z",
-     "iopub.status.busy": "2026-08-03T06:24:51.785132Z",
-     "iopub.status.idle": "2026-08-03T06:24:51.787754Z",
-     "shell.execute_reply": "2026-08-03T06:24:51.787340Z"
+     "iopub.execute_input": "2026-08-04T13:24:05.104329Z",
+     "iopub.status.busy": "2026-08-04T13:24:05.104179Z",
+     "iopub.status.idle": "2026-08-04T13:24:05.108116Z",
+     "shell.execute_reply": "2026-08-04T13:24:05.107492Z"
     }
    },
    "outputs": [
@@ -636,7 +642,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "0a300ba2",
+   "id": "122c3ffd",
    "metadata": {},
    "source": [
     "Every cell is now ordered, and the compositions survived: Cu₀.₅Au₀.₅ became\n",
@@ -652,13 +658,13 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "2fb797d4",
+   "id": "bc10b4f1",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:51.788634Z",
-     "iopub.status.busy": "2026-08-03T06:24:51.788533Z",
-     "iopub.status.idle": "2026-08-03T06:24:51.790909Z",
-     "shell.execute_reply": "2026-08-03T06:24:51.790503Z"
+     "iopub.execute_input": "2026-08-04T13:24:05.109260Z",
+     "iopub.status.busy": "2026-08-04T13:24:05.109121Z",
+     "iopub.status.idle": "2026-08-04T13:24:05.112782Z",
+     "shell.execute_reply": "2026-08-04T13:24:05.112116Z"
     }
    },
    "outputs": [
@@ -685,7 +691,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "645c6e5f",
+   "id": "593c1b07",
    "metadata": {},
    "source": [
     "Arrangements are ranked by **Ewald energy**, which needs oxidation states.\n",
@@ -716,13 +722,13 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "192ccd98",
+   "id": "7bbcb23f",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:51.791687Z",
-     "iopub.status.busy": "2026-08-03T06:24:51.791598Z",
-     "iopub.status.idle": "2026-08-03T06:24:51.869961Z",
-     "shell.execute_reply": "2026-08-03T06:24:51.869495Z"
+     "iopub.execute_input": "2026-08-04T13:24:05.114394Z",
+     "iopub.status.busy": "2026-08-04T13:24:05.114252Z",
+     "iopub.status.idle": "2026-08-04T13:24:05.201011Z",
+     "shell.execute_reply": "2026-08-04T13:24:05.200515Z"
     }
    },
    "outputs": [
@@ -745,7 +751,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "86f8e22e",
+   "id": "c29c3c72",
    "metadata": {},
    "source": [
     "It needs ATAT's `mcsqs`, a separate Fortran program, and it refuses rather than\n",
@@ -763,13 +769,13 @@
   {
    "cell_type": "code",
    "execution_count": 10,
-   "id": "d71d03fb",
+   "id": "a2d2c9b7",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:51.870834Z",
-     "iopub.status.busy": "2026-08-03T06:24:51.870741Z",
-     "iopub.status.idle": "2026-08-03T06:24:51.895806Z",
-     "shell.execute_reply": "2026-08-03T06:24:51.895378Z"
+     "iopub.execute_input": "2026-08-04T13:24:05.202425Z",
+     "iopub.status.busy": "2026-08-04T13:24:05.202310Z",
+     "iopub.status.idle": "2026-08-04T13:24:05.231227Z",
+     "shell.execute_reply": "2026-08-04T13:24:05.230540Z"
     }
    },
    "outputs": [
@@ -829,13 +835,13 @@
   {
    "cell_type": "code",
    "execution_count": 11,
-   "id": "1a723c2b",
+   "id": "f7b88dd0",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:51.896731Z",
-     "iopub.status.busy": "2026-08-03T06:24:51.896574Z",
-     "iopub.status.idle": "2026-08-03T06:24:51.899535Z",
-     "shell.execute_reply": "2026-08-03T06:24:51.899112Z"
+     "iopub.execute_input": "2026-08-04T13:24:05.232405Z",
+     "iopub.status.busy": "2026-08-04T13:24:05.232268Z",
+     "iopub.status.idle": "2026-08-04T13:24:05.236082Z",
+     "shell.execute_reply": "2026-08-04T13:24:05.235645Z"
     }
    },
    "outputs": [
@@ -859,7 +865,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "6428e409",
+   "id": "23d62d3a",
    "metadata": {},
    "source": [
     "That message is the point of the function existing at all.\n",
@@ -893,13 +899,13 @@
   {
    "cell_type": "code",
    "execution_count": 12,
-   "id": "f5e62161",
+   "id": "57e0f3f8",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:51.900358Z",
-     "iopub.status.busy": "2026-08-03T06:24:51.900202Z",
-     "iopub.status.idle": "2026-08-03T06:24:51.902214Z",
-     "shell.execute_reply": "2026-08-03T06:24:51.901858Z"
+     "iopub.execute_input": "2026-08-04T13:24:05.237529Z",
+     "iopub.status.busy": "2026-08-04T13:24:05.237400Z",
+     "iopub.status.idle": "2026-08-04T13:24:05.240699Z",
+     "shell.execute_reply": "2026-08-04T13:24:05.239927Z"
     }
    },
    "outputs": [
@@ -920,7 +926,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "ec22f321",
+   "id": "10b35772",
    "metadata": {},
    "source": [
     "```{seealso}\n",
@@ -932,7 +938,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "c42190fe",
+   "id": "3e299c07",
    "metadata": {},
    "source": [
     "## What can this be alloyed with?\n",
@@ -949,13 +955,13 @@
   {
    "cell_type": "code",
    "execution_count": 13,
-   "id": "92d7316c",
+   "id": "154da5ab",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:51.902950Z",
-     "iopub.status.busy": "2026-08-03T06:24:51.902867Z",
-     "iopub.status.idle": "2026-08-03T06:24:52.835072Z",
-     "shell.execute_reply": "2026-08-03T06:24:52.834658Z"
+     "iopub.execute_input": "2026-08-04T13:24:05.241863Z",
+     "iopub.status.busy": "2026-08-04T13:24:05.241734Z",
+     "iopub.status.idle": "2026-08-04T13:24:06.095326Z",
+     "shell.execute_reply": "2026-08-04T13:24:06.094844Z"
     }
    },
    "outputs": [
@@ -1050,7 +1056,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a6879bba",
+   "id": "c0f544e4",
    "metadata": {},
    "source": [
     "Three pairs out of four materials, and the missing one is the point. **Silicon\n",
@@ -1061,13 +1067,13 @@
   {
    "cell_type": "code",
    "execution_count": 14,
-   "id": "193301e9",
+   "id": "7cbecb84",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:52.836075Z",
-     "iopub.status.busy": "2026-08-03T06:24:52.835974Z",
-     "iopub.status.idle": "2026-08-03T06:24:52.838363Z",
-     "shell.execute_reply": "2026-08-03T06:24:52.837963Z"
+     "iopub.execute_input": "2026-08-04T13:24:06.096601Z",
+     "iopub.status.busy": "2026-08-04T13:24:06.096485Z",
+     "iopub.status.idle": "2026-08-04T13:24:06.099157Z",
+     "shell.execute_reply": "2026-08-04T13:24:06.098750Z"
     }
    },
    "outputs": [
@@ -1090,7 +1096,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "2d3cd3a8",
+   "id": "57b9b0c8",
    "metadata": {},
    "source": [
     "\"Not commensurate\" — there is no species you can swap to get from Si to GaAs\n",
@@ -1117,7 +1123,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "67677a6f",
+   "id": "1ecfe612",
    "metadata": {},
    "source": [
     "## Did the disorder work?\n",
@@ -1139,13 +1145,13 @@
   {
    "cell_type": "code",
    "execution_count": 15,
-   "id": "a5af54cc",
+   "id": "434b8127",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:52.839202Z",
-     "iopub.status.busy": "2026-08-03T06:24:52.839105Z",
-     "iopub.status.idle": "2026-08-03T06:24:53.140559Z",
-     "shell.execute_reply": "2026-08-03T06:24:53.140091Z"
+     "iopub.execute_input": "2026-08-04T13:24:06.100379Z",
+     "iopub.status.busy": "2026-08-04T13:24:06.100249Z",
+     "iopub.status.idle": "2026-08-04T13:24:06.415577Z",
+     "shell.execute_reply": "2026-08-04T13:24:06.415092Z"
     }
    },
    "outputs": [
@@ -1230,7 +1236,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "d1e317b2",
+   "id": "2a97b533",
    "metadata": {},
    "source": [
     "**+1 for the like pairs and −1 for the unlike ones** on B2, which is what\n",
@@ -1250,13 +1256,13 @@
   {
    "cell_type": "code",
    "execution_count": 16,
-   "id": "f2aa7052",
+   "id": "425983fc",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:53.141451Z",
-     "iopub.status.busy": "2026-08-03T06:24:53.141366Z",
-     "iopub.status.idle": "2026-08-03T06:24:54.007767Z",
-     "shell.execute_reply": "2026-08-03T06:24:54.007350Z"
+     "iopub.execute_input": "2026-08-04T13:24:06.416559Z",
+     "iopub.status.busy": "2026-08-04T13:24:06.416438Z",
+     "iopub.status.idle": "2026-08-04T13:24:07.324028Z",
+     "shell.execute_reply": "2026-08-04T13:24:07.323530Z"
     }
    },
    "outputs": [
@@ -1339,7 +1345,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "1855cfbc",
+   "id": "3be850ed",
    "metadata": {},
    "source": [
     "The sign **inverts** between the first shell and the second. In bcc the eight\n",
@@ -1362,7 +1368,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "5db78a03",
+   "id": "c3a926b7",
    "metadata": {},
    "source": [
     "## An effective Hamiltonian, and what it buys\n",
@@ -1384,13 +1390,13 @@
   {
    "cell_type": "code",
    "execution_count": 17,
-   "id": "f4e3c71c",
+   "id": "c0e256dd",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:54.008744Z",
-     "iopub.status.busy": "2026-08-03T06:24:54.008652Z",
-     "iopub.status.idle": "2026-08-03T06:24:55.910118Z",
-     "shell.execute_reply": "2026-08-03T06:24:55.909668Z"
+     "iopub.execute_input": "2026-08-04T13:24:07.325687Z",
+     "iopub.status.busy": "2026-08-04T13:24:07.325433Z",
+     "iopub.status.idle": "2026-08-04T13:24:11.962890Z",
+     "shell.execute_reply": "2026-08-04T13:24:11.961791Z"
     }
    },
    "outputs": [
@@ -1441,7 +1447,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "0f46c617",
+   "id": "1c6ed687",
    "metadata": {},
    "source": [
     "The number that says whether a cluster expansion is any good is the\n",
@@ -1461,13 +1467,13 @@
   {
    "cell_type": "code",
    "execution_count": 18,
-   "id": "829dcd6e",
+   "id": "668866a5",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:55.911610Z",
-     "iopub.status.busy": "2026-08-03T06:24:55.911259Z",
-     "iopub.status.idle": "2026-08-03T06:25:33.798791Z",
-     "shell.execute_reply": "2026-08-03T06:25:33.798026Z"
+     "iopub.execute_input": "2026-08-04T13:24:11.969934Z",
+     "iopub.status.busy": "2026-08-04T13:24:11.969204Z",
+     "iopub.status.idle": "2026-08-04T13:24:52.268382Z",
+     "shell.execute_reply": "2026-08-04T13:24:52.267112Z"
     }
    },
    "outputs": [
@@ -1505,7 +1511,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "3bb92e2b",
+   "id": "a47f9a33",
    "metadata": {},
    "source": [
     "A heat capacity that is flat everywhere except one sharp peak, and the peak is\n",
diff --git a/matverse_guide/docs/tutorials/dynamics.ipynb b/matverse_guide/docs/tutorials/dynamics.ipynb
index ca45450..0ba5841 100644
--- a/matverse_guide/docs/tutorials/dynamics.ipynb
+++ b/matverse_guide/docs/tutorials/dynamics.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "8cabf223",
+   "id": "2926b054",
    "metadata": {},
    "source": [
     "# Dynamics\n",
@@ -23,13 +23,13 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "9399439f",
+   "id": "fc99b33b",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:31.627006Z",
-     "iopub.status.busy": "2026-08-03T06:22:31.626863Z",
-     "iopub.status.idle": "2026-08-03T06:22:34.659203Z",
-     "shell.execute_reply": "2026-08-03T06:22:34.658763Z"
+     "iopub.execute_input": "2026-08-04T13:21:13.185496Z",
+     "iopub.status.busy": "2026-08-04T13:21:13.185115Z",
+     "iopub.status.idle": "2026-08-04T13:21:17.968527Z",
+     "shell.execute_reply": "2026-08-04T13:21:17.968058Z"
     }
    },
    "outputs": [
@@ -37,20 +37,26 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "🔬 Starting plot initialization...\n",
-      "🧪 Calculators available: 6\n",
-      "    • emt — EMT (LGPL-2.1)\n",
-      "    • lj — Lennard-Jones (LGPL-2.1)\n",
-      "    • mace-mpa — mace-mpa (unstated)\n",
-      "    • mace-omat — mace-omat (unstated)\n",
-      "    • sevennet — sevennet (unstated)\n",
-      "    • chgnet — chgnet (unstated)\n"
+      "🔬 Starting plot initialization...\n"
      ]
     },
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
+      "🧪 Calculators available: 12\n",
+      "    • emt — EMT (LGPL-2.1)\n",
+      "    • lj — Lennard-Jones (LGPL-2.1)\n",
+      "    • mace-mpa — mace-mpa (unstated)\n",
+      "    • mace-omat — mace-omat (unstated)\n",
+      "    • sevennet — sevennet (unstated)\n",
+      "    • chgnet — chgnet (unstated)\n",
+      "    • m3gnet — M3GNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • m3gnet-r2scan — M3GNet-PES-MatPES-r2SCAN-2025.2 (BSD-3-Clause)\n",
+      "    • tensornet — TensorNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • orb — ORB v3 conservative (Apache-2.0)\n",
+      "    • gpaw-pbe — GPAW PBE, PW(500 eV) (GPL-3.0)\n",
+      "    • gpaw-pbe-fast — GPAW PBE, PW(400 eV) (GPL-3.0)\n",
       "🖥️ NVIDIA CUDA GPUs: 1\n",
       "    • [CUDA 0] NVIDIA H100 80GB HBM3 — 79.1 GB, compute 9.0\n",
       "\n",
@@ -60,7 +66,7 @@
       " / / / / / / /_/ / /_ | |/ /  __/ /  (__  )  __/\n",
       "/_/ /_/ /_/\\__,_/\\__/ |___/\\___/_/  /____/\\___/\n",
       "\n",
-      "🔖 Version: 0.1.71   🧮 Functions: 213   📚 Tutorials: https://matverse.readthedocs.io/\n",
+      "🔖 Version: 0.1.71   🧮 Functions: 214   📚 Tutorials: https://matverse.readthedocs.io/\n",
       "✅ set_style complete.\n",
       "\n"
      ]
@@ -76,7 +82,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "507cabe2",
+   "id": "dc91d7b3",
    "metadata": {},
    "source": [
     "## Loading a dataset\n",
@@ -89,13 +95,13 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "b085b0da",
+   "id": "304db55c",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:34.660369Z",
-     "iopub.status.busy": "2026-08-03T06:22:34.660114Z",
-     "iopub.status.idle": "2026-08-03T06:22:34.709836Z",
-     "shell.execute_reply": "2026-08-03T06:22:34.709487Z"
+     "iopub.execute_input": "2026-08-04T13:21:17.970454Z",
+     "iopub.status.busy": "2026-08-04T13:21:17.970077Z",
+     "iopub.status.idle": "2026-08-04T13:21:17.992504Z",
+     "shell.execute_reply": "2026-08-04T13:21:17.991089Z"
     }
    },
    "outputs": [
@@ -157,7 +163,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "678e8977",
+   "id": "29e5230d",
    "metadata": {},
    "source": [
     "## Running\n",
@@ -169,13 +175,13 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "f10639fb",
+   "id": "6779ac17",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:34.710677Z",
-     "iopub.status.busy": "2026-08-03T06:22:34.710579Z",
-     "iopub.status.idle": "2026-08-03T06:22:41.513574Z",
-     "shell.execute_reply": "2026-08-03T06:22:41.513061Z"
+     "iopub.execute_input": "2026-08-04T13:21:17.993819Z",
+     "iopub.status.busy": "2026-08-04T13:21:17.993681Z",
+     "iopub.status.idle": "2026-08-04T13:21:25.180053Z",
+     "shell.execute_reply": "2026-08-04T13:21:25.179548Z"
     }
    },
    "outputs": [
@@ -240,7 +246,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "c50a435c",
+   "id": "9917e0ad",
    "metadata": {},
    "source": [
     "`md_temperature_emt` is the temperature the run actually achieved, and it is\n",
@@ -265,13 +271,13 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "78f47cd2",
+   "id": "39dccad2",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:41.514667Z",
-     "iopub.status.busy": "2026-08-03T06:22:41.514575Z",
-     "iopub.status.idle": "2026-08-03T06:22:41.517352Z",
-     "shell.execute_reply": "2026-08-03T06:22:41.516985Z"
+     "iopub.execute_input": "2026-08-04T13:21:25.181676Z",
+     "iopub.status.busy": "2026-08-04T13:21:25.181525Z",
+     "iopub.status.idle": "2026-08-04T13:21:25.185770Z",
+     "shell.execute_reply": "2026-08-04T13:21:25.184979Z"
     }
    },
    "outputs": [
@@ -294,20 +300,20 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "18e6fec6",
+   "id": "0accd57b",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:41.518127Z",
-     "iopub.status.busy": "2026-08-03T06:22:41.518039Z",
-     "iopub.status.idle": "2026-08-03T06:22:41.676130Z",
-     "shell.execute_reply": "2026-08-03T06:22:41.675741Z"
+     "iopub.execute_input": "2026-08-04T13:21:25.187085Z",
+     "iopub.status.busy": "2026-08-04T13:21:25.186953Z",
+     "iopub.status.idle": "2026-08-04T13:21:25.372912Z",
+     "shell.execute_reply": "2026-08-04T13:21:25.372311Z"
     }
    },
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "<matplotlib.legend.Legend at 0x7fa5140b5970>"
+       "<matplotlib.legend.Legend at 0x7f9d340902f0>"
       ]
      },
      "execution_count": 5,
@@ -348,7 +354,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "868502cd",
+   "id": "5148c54e",
    "metadata": {},
    "source": [
     "The instantaneous temperature swings wildly around its mean, and that is\n",
@@ -369,13 +375,13 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "f390f9b6",
+   "id": "8f043e87",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:41.677172Z",
-     "iopub.status.busy": "2026-08-03T06:22:41.677077Z",
-     "iopub.status.idle": "2026-08-03T06:23:27.339951Z",
-     "shell.execute_reply": "2026-08-03T06:23:27.339362Z"
+     "iopub.execute_input": "2026-08-04T13:21:25.374856Z",
+     "iopub.status.busy": "2026-08-04T13:21:25.374395Z",
+     "iopub.status.idle": "2026-08-04T13:22:15.310927Z",
+     "shell.execute_reply": "2026-08-04T13:22:15.310009Z"
     }
    },
    "outputs": [
@@ -452,13 +458,13 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "06967a8e",
+   "id": "21271948",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:23:27.341062Z",
-     "iopub.status.busy": "2026-08-03T06:23:27.340961Z",
-     "iopub.status.idle": "2026-08-03T06:23:27.455601Z",
-     "shell.execute_reply": "2026-08-03T06:23:27.455076Z"
+     "iopub.execute_input": "2026-08-04T13:22:15.312315Z",
+     "iopub.status.busy": "2026-08-04T13:22:15.312165Z",
+     "iopub.status.idle": "2026-08-04T13:22:15.433421Z",
+     "shell.execute_reply": "2026-08-04T13:22:15.432943Z"
     }
    },
    "outputs": [
@@ -501,7 +507,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "402799c1",
+   "id": "7b56a800",
    "metadata": {},
    "source": [
     "A percent or so over 600 K, which is the right order for a metal — copper's\n",
@@ -522,13 +528,13 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "214744a4",
+   "id": "bdfb7670",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:23:27.456942Z",
-     "iopub.status.busy": "2026-08-03T06:23:27.456830Z",
-     "iopub.status.idle": "2026-08-03T06:23:34.152991Z",
-     "shell.execute_reply": "2026-08-03T06:23:34.152271Z"
+     "iopub.execute_input": "2026-08-04T13:22:15.434666Z",
+     "iopub.status.busy": "2026-08-04T13:22:15.434525Z",
+     "iopub.status.idle": "2026-08-04T13:22:22.391307Z",
+     "shell.execute_reply": "2026-08-04T13:22:22.390668Z"
     }
    },
    "outputs": [
@@ -589,7 +595,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "1f899478",
+   "id": "f2c39fe4",
    "metadata": {},
    "source": [
     "Essentially zero, and that is the right answer. Copper at 300 K has a vacancy\n",
@@ -617,13 +623,13 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "32d8f7bc",
+   "id": "588022f8",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:23:34.154171Z",
-     "iopub.status.busy": "2026-08-03T06:23:34.154018Z",
-     "iopub.status.idle": "2026-08-03T06:23:34.271217Z",
-     "shell.execute_reply": "2026-08-03T06:23:34.270795Z"
+     "iopub.execute_input": "2026-08-04T13:22:22.392505Z",
+     "iopub.status.busy": "2026-08-04T13:22:22.392359Z",
+     "iopub.status.idle": "2026-08-04T13:22:22.534080Z",
+     "shell.execute_reply": "2026-08-04T13:22:22.533606Z"
     }
    },
    "outputs": [
@@ -644,7 +650,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "067bc011",
+   "id": "113a9010",
    "metadata": {},
    "source": [
     "Empty in this build, because the engine is not installed. Registering one is the\n",
@@ -655,13 +661,13 @@
   {
    "cell_type": "code",
    "execution_count": 10,
-   "id": "e8af173f",
+   "id": "18d85bcc",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:23:34.272099Z",
-     "iopub.status.busy": "2026-08-03T06:23:34.272010Z",
-     "iopub.status.idle": "2026-08-03T06:23:34.274558Z",
-     "shell.execute_reply": "2026-08-03T06:23:34.274252Z"
+     "iopub.execute_input": "2026-08-04T13:22:22.535325Z",
+     "iopub.status.busy": "2026-08-04T13:22:22.535188Z",
+     "iopub.status.idle": "2026-08-04T13:22:22.538335Z",
+     "shell.execute_reply": "2026-08-04T13:22:22.537846Z"
     }
    },
    "outputs": [
@@ -696,7 +702,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "952efdca",
+   "id": "29a786be",
    "metadata": {},
    "source": [
     "The factory is lazy, which is why that cell runs in an environment without\n",
@@ -719,13 +725,13 @@
   {
    "cell_type": "code",
    "execution_count": 11,
-   "id": "025d376d",
+   "id": "5bc0d876",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:23:34.275258Z",
-     "iopub.status.busy": "2026-08-03T06:23:34.275168Z",
-     "iopub.status.idle": "2026-08-03T06:24:15.854321Z",
-     "shell.execute_reply": "2026-08-03T06:24:15.853837Z"
+     "iopub.execute_input": "2026-08-04T13:22:22.539495Z",
+     "iopub.status.busy": "2026-08-04T13:22:22.539366Z",
+     "iopub.status.idle": "2026-08-04T13:23:11.059219Z",
+     "shell.execute_reply": "2026-08-04T13:23:11.057879Z"
     }
    },
    "outputs": [
@@ -785,13 +791,13 @@
   {
    "cell_type": "code",
    "execution_count": 12,
-   "id": "8f91f06b",
+   "id": "ae461e0a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:15.855281Z",
-     "iopub.status.busy": "2026-08-03T06:24:15.855185Z",
-     "iopub.status.idle": "2026-08-03T06:24:15.857360Z",
-     "shell.execute_reply": "2026-08-03T06:24:15.857073Z"
+     "iopub.execute_input": "2026-08-04T13:23:11.060507Z",
+     "iopub.status.busy": "2026-08-04T13:23:11.060370Z",
+     "iopub.status.idle": "2026-08-04T13:23:11.067195Z",
+     "shell.execute_reply": "2026-08-04T13:23:11.066710Z"
     }
    },
    "outputs": [
@@ -812,7 +818,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "06c9f9fd",
+   "id": "b4952ad5",
    "metadata": {},
    "source": [
     "```{warning}\n",
@@ -831,13 +837,13 @@
   {
    "cell_type": "code",
    "execution_count": 13,
-   "id": "14f1c9a4",
+   "id": "18bea18a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:15.858103Z",
-     "iopub.status.busy": "2026-08-03T06:24:15.858021Z",
-     "iopub.status.idle": "2026-08-03T06:24:15.859977Z",
-     "shell.execute_reply": "2026-08-03T06:24:15.859674Z"
+     "iopub.execute_input": "2026-08-04T13:23:11.068731Z",
+     "iopub.status.busy": "2026-08-04T13:23:11.068589Z",
+     "iopub.status.idle": "2026-08-04T13:23:11.072321Z",
+     "shell.execute_reply": "2026-08-04T13:23:11.071834Z"
     }
    },
    "outputs": [
@@ -858,7 +864,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "9ffd7d71",
+   "id": "5cd4ee0f",
    "metadata": {},
    "source": [
     "## Was it actually amorphous?\n",
@@ -871,20 +877,20 @@
   {
    "cell_type": "code",
    "execution_count": 14,
-   "id": "a1cb19d5",
+   "id": "865f13a9",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:15.860700Z",
-     "iopub.status.busy": "2026-08-03T06:24:15.860617Z",
-     "iopub.status.idle": "2026-08-03T06:24:16.363564Z",
-     "shell.execute_reply": "2026-08-03T06:24:16.363078Z"
+     "iopub.execute_input": "2026-08-04T13:23:11.073523Z",
+     "iopub.status.busy": "2026-08-04T13:23:11.073386Z",
+     "iopub.status.idle": "2026-08-04T13:23:11.632775Z",
+     "shell.execute_reply": "2026-08-04T13:23:11.632209Z"
     }
    },
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "<matplotlib.legend.Legend at 0x7fa30a8f5370>"
+       "<matplotlib.legend.Legend at 0x7f9f411155e0>"
       ]
      },
      "execution_count": 14,
@@ -925,7 +931,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "7d9b714b",
+   "id": "463fa1ea",
    "metadata": {},
    "source": [
     "The crystal's shells stay sharp out to 8 Å. The quenched structure keeps its\n",
@@ -940,13 +946,13 @@
   {
    "cell_type": "code",
    "execution_count": 15,
-   "id": "7fd5772a",
+   "id": "dcb5f14e",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:16.364710Z",
-     "iopub.status.busy": "2026-08-03T06:24:16.364391Z",
-     "iopub.status.idle": "2026-08-03T06:24:16.366664Z",
-     "shell.execute_reply": "2026-08-03T06:24:16.366358Z"
+     "iopub.execute_input": "2026-08-04T13:23:11.633971Z",
+     "iopub.status.busy": "2026-08-04T13:23:11.633831Z",
+     "iopub.status.idle": "2026-08-04T13:23:11.636316Z",
+     "shell.execute_reply": "2026-08-04T13:23:11.635821Z"
     }
    },
    "outputs": [
@@ -972,7 +978,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "8a186244",
+   "id": "1cd983cf",
    "metadata": {},
    "source": [
     "Every temperature, every step count, every thermostat setting. For MD that is\n",
@@ -988,7 +994,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b60157f1",
+   "id": "7694f004",
    "metadata": {},
    "source": [
     "## Where the atoms spend their time\n",
@@ -1008,13 +1014,13 @@
   {
    "cell_type": "code",
    "execution_count": 16,
-   "id": "dacbb17c",
+   "id": "691d2d2d",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:16.367421Z",
-     "iopub.status.busy": "2026-08-03T06:24:16.367335Z",
-     "iopub.status.idle": "2026-08-03T06:24:16.718510Z",
-     "shell.execute_reply": "2026-08-03T06:24:16.718097Z"
+     "iopub.execute_input": "2026-08-04T13:23:11.637368Z",
+     "iopub.status.busy": "2026-08-04T13:23:11.637223Z",
+     "iopub.status.idle": "2026-08-04T13:23:11.696024Z",
+     "shell.execute_reply": "2026-08-04T13:23:11.695395Z"
     }
    },
    "outputs": [
@@ -1088,7 +1094,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "53215493",
+   "id": "4f5212b0",
    "metadata": {},
    "source": [
     "The first peak lands at 2.96 Å against a nearest-neighbour distance of 2.97, and\n",
@@ -1107,7 +1113,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "56780bf2",
+   "id": "5d8da6cc",
    "metadata": {},
    "source": [
     "## How much of the cell do they visit?\n",
@@ -1124,13 +1130,13 @@
   {
    "cell_type": "code",
    "execution_count": 17,
-   "id": "1ecc6f7d",
+   "id": "88d49b7a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:16.719416Z",
-     "iopub.status.busy": "2026-08-03T06:24:16.719324Z",
-     "iopub.status.idle": "2026-08-03T06:24:16.734221Z",
-     "shell.execute_reply": "2026-08-03T06:24:16.733844Z"
+     "iopub.execute_input": "2026-08-04T13:23:11.697121Z",
+     "iopub.status.busy": "2026-08-04T13:23:11.696983Z",
+     "iopub.status.idle": "2026-08-04T13:23:11.719757Z",
+     "shell.execute_reply": "2026-08-04T13:23:11.714925Z"
     }
    },
    "outputs": [
@@ -1234,7 +1240,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "688b20d1",
+   "id": "28556938",
    "metadata": {},
    "source": [
     "Monotonic, from four ions pinned in four voxels to a liquid that has forgotten\n",
@@ -1253,13 +1259,13 @@
   {
    "cell_type": "code",
    "execution_count": 18,
-   "id": "8b7b45ed",
+   "id": "48720471",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:16.735062Z",
-     "iopub.status.busy": "2026-08-03T06:24:16.734968Z",
-     "iopub.status.idle": "2026-08-03T06:24:16.738851Z",
-     "shell.execute_reply": "2026-08-03T06:24:16.738508Z"
+     "iopub.execute_input": "2026-08-04T13:23:11.721279Z",
+     "iopub.status.busy": "2026-08-04T13:23:11.721123Z",
+     "iopub.status.idle": "2026-08-04T13:23:11.726751Z",
+     "shell.execute_reply": "2026-08-04T13:23:11.726029Z"
     }
    },
    "outputs": [
@@ -1290,7 +1296,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "5b828075",
+   "id": "65efd8c9",
    "metadata": {},
    "source": [
     "0.87 became 0.03 with no change to the physics. That is why the function warns\n",
@@ -1304,7 +1310,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "8dcc170e",
+   "id": "216628cb",
    "metadata": {},
    "source": [
     "## The shape of the motion\n",
@@ -1321,13 +1327,13 @@
   {
    "cell_type": "code",
    "execution_count": 19,
-   "id": "b224f003",
+   "id": "cbbaecf2",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:16.739655Z",
-     "iopub.status.busy": "2026-08-03T06:24:16.739562Z",
-     "iopub.status.idle": "2026-08-03T06:24:17.373902Z",
-     "shell.execute_reply": "2026-08-03T06:24:17.373444Z"
+     "iopub.execute_input": "2026-08-04T13:23:11.727890Z",
+     "iopub.status.busy": "2026-08-04T13:23:11.727670Z",
+     "iopub.status.idle": "2026-08-04T13:23:12.466628Z",
+     "shell.execute_reply": "2026-08-04T13:23:12.466162Z"
     }
    },
    "outputs": [
@@ -1368,7 +1374,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "2374ceb0",
+   "id": "aca6942f",
    "metadata": {},
    "source": [
     "Twelve, eighteen, fifty-four — the neighbour counts of a rocksalt lattice,\n",
@@ -1386,13 +1392,13 @@
   {
    "cell_type": "code",
    "execution_count": 20,
-   "id": "86e50e53",
+   "id": "54187dce",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:17.374787Z",
-     "iopub.status.busy": "2026-08-03T06:24:17.374696Z",
-     "iopub.status.idle": "2026-08-03T06:24:19.287286Z",
-     "shell.execute_reply": "2026-08-03T06:24:19.286859Z"
+     "iopub.execute_input": "2026-08-04T13:23:12.468158Z",
+     "iopub.status.busy": "2026-08-04T13:23:12.467951Z",
+     "iopub.status.idle": "2026-08-04T13:23:14.691928Z",
+     "shell.execute_reply": "2026-08-04T13:23:14.691570Z"
     }
    },
    "outputs": [
@@ -1472,7 +1478,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "be9e3702",
+   "id": "70a10489",
    "metadata": {},
    "source": [
     "Two things to read.\n",
@@ -1496,7 +1502,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "942a278a",
+   "id": "0bf94607",
    "metadata": {},
    "source": [
     "## Rattling or hopping?\n",
@@ -1515,13 +1521,13 @@
   {
    "cell_type": "code",
    "execution_count": 21,
-   "id": "3f19f04d",
+   "id": "9914ae9f",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:19.289489Z",
-     "iopub.status.busy": "2026-08-03T06:24:19.289401Z",
-     "iopub.status.idle": "2026-08-03T06:24:19.315563Z",
-     "shell.execute_reply": "2026-08-03T06:24:19.315183Z"
+     "iopub.execute_input": "2026-08-04T13:23:14.697478Z",
+     "iopub.status.busy": "2026-08-04T13:23:14.696947Z",
+     "iopub.status.idle": "2026-08-04T13:23:14.724928Z",
+     "shell.execute_reply": "2026-08-04T13:23:14.724262Z"
     }
    },
    "outputs": [
@@ -1614,7 +1620,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "c2453e4b",
+   "id": "f733fa2c",
    "metadata": {},
    "source": [
     "The vibration amplitude is unchanged between the two runs, because it *is*\n",
diff --git a/matverse_guide/docs/tutorials/from_pymatgen.ipynb b/matverse_guide/docs/tutorials/from_pymatgen.ipynb
index 7212e7d..c9294a7 100644
--- a/matverse_guide/docs/tutorials/from_pymatgen.ipynb
+++ b/matverse_guide/docs/tutorials/from_pymatgen.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "aa41e319",
+   "id": "40a747ef",
    "metadata": {},
    "source": [
     "# Coming from pymatgen\n",
@@ -36,13 +36,13 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "88f71f31",
+   "id": "cc86d81b",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:35.654436Z",
-     "iopub.status.busy": "2026-08-03T06:25:35.654295Z",
-     "iopub.status.idle": "2026-08-03T06:25:38.957597Z",
-     "shell.execute_reply": "2026-08-03T06:25:38.957101Z"
+     "iopub.execute_input": "2026-08-04T13:24:55.112731Z",
+     "iopub.status.busy": "2026-08-04T13:24:55.112628Z",
+     "iopub.status.idle": "2026-08-04T13:25:00.309366Z",
+     "shell.execute_reply": "2026-08-04T13:25:00.308801Z"
     }
    },
    "outputs": [
@@ -50,20 +50,26 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "🔬 Starting plot initialization...\n",
-      "🧪 Calculators available: 6\n",
-      "    • emt — EMT (LGPL-2.1)\n",
-      "    • lj — Lennard-Jones (LGPL-2.1)\n",
-      "    • mace-mpa — mace-mpa (unstated)\n",
-      "    • mace-omat — mace-omat (unstated)\n",
-      "    • sevennet — sevennet (unstated)\n",
-      "    • chgnet — chgnet (unstated)\n"
+      "🔬 Starting plot initialization...\n"
      ]
     },
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
+      "🧪 Calculators available: 12\n",
+      "    • emt — EMT (LGPL-2.1)\n",
+      "    • lj — Lennard-Jones (LGPL-2.1)\n",
+      "    • mace-mpa — mace-mpa (unstated)\n",
+      "    • mace-omat — mace-omat (unstated)\n",
+      "    • sevennet — sevennet (unstated)\n",
+      "    • chgnet — chgnet (unstated)\n",
+      "    • m3gnet — M3GNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • m3gnet-r2scan — M3GNet-PES-MatPES-r2SCAN-2025.2 (BSD-3-Clause)\n",
+      "    • tensornet — TensorNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • orb — ORB v3 conservative (Apache-2.0)\n",
+      "    • gpaw-pbe — GPAW PBE, PW(500 eV) (GPL-3.0)\n",
+      "    • gpaw-pbe-fast — GPAW PBE, PW(400 eV) (GPL-3.0)\n",
       "🖥️ NVIDIA CUDA GPUs: 1\n",
       "    • [CUDA 0] NVIDIA H100 80GB HBM3 — 79.1 GB, compute 9.0\n",
       "\n",
@@ -73,7 +79,7 @@
       " / / / / / / /_/ / /_ | |/ /  __/ /  (__  )  __/\n",
       "/_/ /_/ /_/\\__,_/\\__/ |___/\\___/_/  /____/\\___/\n",
       "\n",
-      "🔖 Version: 0.1.71   🧮 Functions: 213   📚 Tutorials: https://matverse.readthedocs.io/\n",
+      "🔖 Version: 0.1.71   🧮 Functions: 214   📚 Tutorials: https://matverse.readthedocs.io/\n",
       "✅ set_style complete.\n",
       "\n"
      ]
@@ -89,7 +95,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "d32f3f63",
+   "id": "1fc28689",
    "metadata": {},
    "source": [
     "## Every transformation, by name\n",
@@ -102,13 +108,13 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "26e16097",
+   "id": "41f1214c",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:38.958727Z",
-     "iopub.status.busy": "2026-08-03T06:25:38.958471Z",
-     "iopub.status.idle": "2026-08-03T06:25:39.971653Z",
-     "shell.execute_reply": "2026-08-03T06:25:39.971222Z"
+     "iopub.execute_input": "2026-08-04T13:25:00.310881Z",
+     "iopub.status.busy": "2026-08-04T13:25:00.310544Z",
+     "iopub.status.idle": "2026-08-04T13:25:00.982089Z",
+     "shell.execute_reply": "2026-08-04T13:25:00.981697Z"
     }
    },
    "outputs": [
@@ -131,13 +137,13 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "bb69ee8d",
+   "id": "c9a44310",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:39.972856Z",
-     "iopub.status.busy": "2026-08-03T06:25:39.972559Z",
-     "iopub.status.idle": "2026-08-03T06:25:39.979374Z",
-     "shell.execute_reply": "2026-08-03T06:25:39.978949Z"
+     "iopub.execute_input": "2026-08-04T13:25:00.983711Z",
+     "iopub.status.busy": "2026-08-04T13:25:00.983351Z",
+     "iopub.status.idle": "2026-08-04T13:25:00.991026Z",
+     "shell.execute_reply": "2026-08-04T13:25:00.990604Z"
     }
    },
    "outputs": [
@@ -288,7 +294,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f06feee6",
+   "id": "4569e943",
    "metadata": {},
    "source": [
     "Read from pymatgen at call time rather than from a table here, so a\n",
@@ -300,13 +306,13 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "f36b3788",
+   "id": "e9b50ad9",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:39.980236Z",
-     "iopub.status.busy": "2026-08-03T06:25:39.980141Z",
-     "iopub.status.idle": "2026-08-03T06:25:39.983771Z",
-     "shell.execute_reply": "2026-08-03T06:25:39.983393Z"
+     "iopub.execute_input": "2026-08-04T13:25:00.992090Z",
+     "iopub.status.busy": "2026-08-04T13:25:00.991918Z",
+     "iopub.status.idle": "2026-08-04T13:25:00.995828Z",
+     "shell.execute_reply": "2026-08-04T13:25:00.995398Z"
     }
    },
    "outputs": [
@@ -327,7 +333,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "cf97bb72",
+   "id": "7d1f9339",
    "metadata": {},
    "source": [
     "## Loading a dataset\n",
@@ -338,13 +344,13 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "4675e01f",
+   "id": "f575b6b8",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:39.984553Z",
-     "iopub.status.busy": "2026-08-03T06:25:39.984465Z",
-     "iopub.status.idle": "2026-08-03T06:25:40.011457Z",
-     "shell.execute_reply": "2026-08-03T06:25:40.011030Z"
+     "iopub.execute_input": "2026-08-04T13:25:00.996880Z",
+     "iopub.status.busy": "2026-08-04T13:25:00.996708Z",
+     "iopub.status.idle": "2026-08-04T13:25:01.028018Z",
+     "shell.execute_reply": "2026-08-04T13:25:01.027288Z"
     }
    },
    "outputs": [
@@ -422,7 +428,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "9859a458",
+   "id": "dc188e30",
    "metadata": {},
    "source": [
     "## Applying one"
@@ -431,13 +437,13 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "072039f7",
+   "id": "ad1920c4",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:40.012365Z",
-     "iopub.status.busy": "2026-08-03T06:25:40.012207Z",
-     "iopub.status.idle": "2026-08-03T06:25:40.020634Z",
-     "shell.execute_reply": "2026-08-03T06:25:40.020221Z"
+     "iopub.execute_input": "2026-08-04T13:25:01.029257Z",
+     "iopub.status.busy": "2026-08-04T13:25:01.029125Z",
+     "iopub.status.idle": "2026-08-04T13:25:01.038539Z",
+     "shell.execute_reply": "2026-08-04T13:25:01.037955Z"
     }
    },
    "outputs": [
@@ -461,7 +467,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "3917558d",
+   "id": "3afcad47",
    "metadata": {},
    "source": [
     "Three variants where a list comprehension would have left you with one list and\n",
@@ -475,13 +481,13 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "624e4597",
+   "id": "13d1839a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:40.021573Z",
-     "iopub.status.busy": "2026-08-03T06:25:40.021427Z",
-     "iopub.status.idle": "2026-08-03T06:25:40.026595Z",
-     "shell.execute_reply": "2026-08-03T06:25:40.026166Z"
+     "iopub.execute_input": "2026-08-04T13:25:01.039677Z",
+     "iopub.status.busy": "2026-08-04T13:25:01.039547Z",
+     "iopub.status.idle": "2026-08-04T13:25:01.045096Z",
+     "shell.execute_reply": "2026-08-04T13:25:01.044586Z"
     }
    },
    "outputs": [
@@ -556,7 +562,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e2ab09cb",
+   "id": "4fe64b4c",
    "metadata": {},
    "source": [
     "### A failure on one row is not a failure of the call\n",
@@ -569,13 +575,13 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "b5c9b317",
+   "id": "fb6893f1",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:40.027426Z",
-     "iopub.status.busy": "2026-08-03T06:25:40.027329Z",
-     "iopub.status.idle": "2026-08-03T06:25:40.033525Z",
-     "shell.execute_reply": "2026-08-03T06:25:40.033125Z"
+     "iopub.execute_input": "2026-08-04T13:25:01.046087Z",
+     "iopub.status.busy": "2026-08-04T13:25:01.045981Z",
+     "iopub.status.idle": "2026-08-04T13:25:01.053749Z",
+     "shell.execute_reply": "2026-08-04T13:25:01.053259Z"
     }
    },
    "outputs": [
@@ -651,13 +657,13 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "74fcc91c",
+   "id": "228613a3",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:40.034315Z",
-     "iopub.status.busy": "2026-08-03T06:25:40.034218Z",
-     "iopub.status.idle": "2026-08-03T06:25:40.036377Z",
-     "shell.execute_reply": "2026-08-03T06:25:40.036029Z"
+     "iopub.execute_input": "2026-08-04T13:25:01.055800Z",
+     "iopub.status.busy": "2026-08-04T13:25:01.055689Z",
+     "iopub.status.idle": "2026-08-04T13:25:01.058337Z",
+     "shell.execute_reply": "2026-08-04T13:25:01.057701Z"
     }
    },
    "outputs": [
@@ -678,7 +684,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "04f6da0d",
+   "id": "255a843b",
    "metadata": {},
    "source": [
     "The rows that failed kept their original structure and are flagged `False`, so\n",
@@ -692,13 +698,13 @@
   {
    "cell_type": "code",
    "execution_count": 10,
-   "id": "b87b9f38",
+   "id": "f935758a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:40.037121Z",
-     "iopub.status.busy": "2026-08-03T06:25:40.037034Z",
-     "iopub.status.idle": "2026-08-03T06:25:40.039282Z",
-     "shell.execute_reply": "2026-08-03T06:25:40.038864Z"
+     "iopub.execute_input": "2026-08-04T13:25:01.059645Z",
+     "iopub.status.busy": "2026-08-04T13:25:01.059505Z",
+     "iopub.status.idle": "2026-08-04T13:25:01.062197Z",
+     "shell.execute_reply": "2026-08-04T13:25:01.061799Z"
     }
    },
    "outputs": [
@@ -724,7 +730,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "0ac91f6b",
+   "id": "50d78f07",
    "metadata": {},
    "source": [
     "## One-to-many\n",
@@ -738,13 +744,13 @@
   {
    "cell_type": "code",
    "execution_count": 11,
-   "id": "50ec786c",
+   "id": "0a9f44d4",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:40.040077Z",
-     "iopub.status.busy": "2026-08-03T06:25:40.039988Z",
-     "iopub.status.idle": "2026-08-03T06:25:40.062293Z",
-     "shell.execute_reply": "2026-08-03T06:25:40.061868Z"
+     "iopub.execute_input": "2026-08-04T13:25:01.063358Z",
+     "iopub.status.busy": "2026-08-04T13:25:01.063220Z",
+     "iopub.status.idle": "2026-08-04T13:25:01.085055Z",
+     "shell.execute_reply": "2026-08-04T13:25:01.084566Z"
     }
    },
    "outputs": [
@@ -831,7 +837,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "5f297335",
+   "id": "d4cce148",
    "metadata": {},
    "source": [
     "```{note}\n",
@@ -849,13 +855,13 @@
   {
    "cell_type": "code",
    "execution_count": 12,
-   "id": "5fdcd06e",
+   "id": "d3f2e8c3",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:40.063107Z",
-     "iopub.status.busy": "2026-08-03T06:25:40.063006Z",
-     "iopub.status.idle": "2026-08-03T06:25:40.072050Z",
-     "shell.execute_reply": "2026-08-03T06:25:40.071619Z"
+     "iopub.execute_input": "2026-08-04T13:25:01.086043Z",
+     "iopub.status.busy": "2026-08-04T13:25:01.085920Z",
+     "iopub.status.idle": "2026-08-04T13:25:01.095178Z",
+     "shell.execute_reply": "2026-08-04T13:25:01.094656Z"
     }
    },
    "outputs": [
@@ -928,13 +934,13 @@
   {
    "cell_type": "code",
    "execution_count": 13,
-   "id": "d3658502",
+   "id": "a4c4dc86",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:40.072850Z",
-     "iopub.status.busy": "2026-08-03T06:25:40.072761Z",
-     "iopub.status.idle": "2026-08-03T06:25:40.074999Z",
-     "shell.execute_reply": "2026-08-03T06:25:40.074649Z"
+     "iopub.execute_input": "2026-08-04T13:25:01.096129Z",
+     "iopub.status.busy": "2026-08-04T13:25:01.096021Z",
+     "iopub.status.idle": "2026-08-04T13:25:01.099855Z",
+     "shell.execute_reply": "2026-08-04T13:25:01.099295Z"
     }
    },
    "outputs": [
@@ -957,7 +963,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "282d6ee2",
+   "id": "93fc6987",
    "metadata": {},
    "source": [
     "One variant rather than one per step, because the intermediates are usually not\n",
@@ -982,13 +988,13 @@
   {
    "cell_type": "code",
    "execution_count": 14,
-   "id": "809c178d",
+   "id": "bc1b8314",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:40.075761Z",
-     "iopub.status.busy": "2026-08-03T06:25:40.075671Z",
-     "iopub.status.idle": "2026-08-03T06:25:40.099787Z",
-     "shell.execute_reply": "2026-08-03T06:25:40.099351Z"
+     "iopub.execute_input": "2026-08-04T13:25:01.101127Z",
+     "iopub.status.busy": "2026-08-04T13:25:01.100989Z",
+     "iopub.status.idle": "2026-08-04T13:25:01.126391Z",
+     "shell.execute_reply": "2026-08-04T13:25:01.125605Z"
     }
    },
    "outputs": [
@@ -1066,13 +1072,13 @@
   {
    "cell_type": "code",
    "execution_count": 15,
-   "id": "89337cd2",
+   "id": "aca4dbbd",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:40.100608Z",
-     "iopub.status.busy": "2026-08-03T06:25:40.100513Z",
-     "iopub.status.idle": "2026-08-03T06:25:40.103840Z",
-     "shell.execute_reply": "2026-08-03T06:25:40.103457Z"
+     "iopub.execute_input": "2026-08-04T13:25:01.127595Z",
+     "iopub.status.busy": "2026-08-04T13:25:01.127458Z",
+     "iopub.status.idle": "2026-08-04T13:25:01.131442Z",
+     "shell.execute_reply": "2026-08-04T13:25:01.130949Z"
     }
    },
    "outputs": [
@@ -1094,7 +1100,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "c57777a2",
+   "id": "385a1bea",
    "metadata": {},
    "source": [
     "Bond-valence analysis read the states off the bond lengths, and the cells came\n",
@@ -1107,13 +1113,13 @@
   {
    "cell_type": "code",
    "execution_count": 16,
-   "id": "68493ef2",
+   "id": "2b66be6a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:40.104603Z",
-     "iopub.status.busy": "2026-08-03T06:25:40.104513Z",
-     "iopub.status.idle": "2026-08-03T06:25:40.389940Z",
-     "shell.execute_reply": "2026-08-03T06:25:40.389462Z"
+     "iopub.execute_input": "2026-08-04T13:25:01.132470Z",
+     "iopub.status.busy": "2026-08-04T13:25:01.132342Z",
+     "iopub.status.idle": "2026-08-04T13:25:01.304584Z",
+     "shell.execute_reply": "2026-08-04T13:25:01.304030Z"
     }
    },
    "outputs": [
@@ -1145,7 +1151,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "9426502d",
+   "id": "18b4f9cb",
    "metadata": {},
    "source": [
     "### It fails on metals, and says so per row\n",
@@ -1158,13 +1164,13 @@
   {
    "cell_type": "code",
    "execution_count": 17,
-   "id": "3c22cb41",
+   "id": "3714f944",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:40.390895Z",
-     "iopub.status.busy": "2026-08-03T06:25:40.390744Z",
-     "iopub.status.idle": "2026-08-03T06:25:40.438036Z",
-     "shell.execute_reply": "2026-08-03T06:25:40.437534Z"
+     "iopub.execute_input": "2026-08-04T13:25:01.306498Z",
+     "iopub.status.busy": "2026-08-04T13:25:01.306269Z",
+     "iopub.status.idle": "2026-08-04T13:25:01.353610Z",
+     "shell.execute_reply": "2026-08-04T13:25:01.353134Z"
     }
    },
    "outputs": [
@@ -1230,13 +1236,13 @@
   {
    "cell_type": "code",
    "execution_count": 18,
-   "id": "8d3a559b",
+   "id": "6963686d",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:40.438974Z",
-     "iopub.status.busy": "2026-08-03T06:25:40.438859Z",
-     "iopub.status.idle": "2026-08-03T06:25:40.441162Z",
-     "shell.execute_reply": "2026-08-03T06:25:40.440790Z"
+     "iopub.execute_input": "2026-08-04T13:25:01.355072Z",
+     "iopub.status.busy": "2026-08-04T13:25:01.354952Z",
+     "iopub.status.idle": "2026-08-04T13:25:01.357498Z",
+     "shell.execute_reply": "2026-08-04T13:25:01.356989Z"
     }
    },
    "outputs": [
@@ -1257,7 +1263,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a22828d4",
+   "id": "a5b3cd5c",
    "metadata": {},
    "source": [
     "## What you get for it\n",
@@ -1292,13 +1298,13 @@
   {
    "cell_type": "code",
    "execution_count": 19,
-   "id": "05f70f40",
+   "id": "a0b613e9",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:40.441973Z",
-     "iopub.status.busy": "2026-08-03T06:25:40.441881Z",
-     "iopub.status.idle": "2026-08-03T06:25:40.480937Z",
-     "shell.execute_reply": "2026-08-03T06:25:40.480532Z"
+     "iopub.execute_input": "2026-08-04T13:25:01.358606Z",
+     "iopub.status.busy": "2026-08-04T13:25:01.358477Z",
+     "iopub.status.idle": "2026-08-04T13:25:01.401676Z",
+     "shell.execute_reply": "2026-08-04T13:25:01.400847Z"
     }
    },
    "outputs": [
@@ -1364,7 +1370,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "1cd0f906",
+   "id": "1c867af3",
    "metadata": {},
    "source": [
     "`a+b, a-b, c` is the one to look at: it doubles the volume and gives axes of\n",
@@ -1396,13 +1402,13 @@
   {
    "cell_type": "code",
    "execution_count": 20,
-   "id": "078bba82",
+   "id": "cf31fbc3",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:40.482086Z",
-     "iopub.status.busy": "2026-08-03T06:25:40.481926Z",
-     "iopub.status.idle": "2026-08-03T06:25:40.834837Z",
-     "shell.execute_reply": "2026-08-03T06:25:40.834290Z"
+     "iopub.execute_input": "2026-08-04T13:25:01.402959Z",
+     "iopub.status.busy": "2026-08-04T13:25:01.402834Z",
+     "iopub.status.idle": "2026-08-04T13:25:01.751584Z",
+     "shell.execute_reply": "2026-08-04T13:25:01.751091Z"
     }
    },
    "outputs": [
@@ -1477,7 +1483,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "8a92ad87",
+   "id": "fd885277",
    "metadata": {},
    "source": [
     "| | matverse | α·e²/4πε₀r |\n",
@@ -1505,13 +1511,13 @@
   {
    "cell_type": "code",
    "execution_count": 21,
-   "id": "03be23ab",
+   "id": "410f9f29",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:40.835857Z",
-     "iopub.status.busy": "2026-08-03T06:25:40.835741Z",
-     "iopub.status.idle": "2026-08-03T06:25:40.837917Z",
-     "shell.execute_reply": "2026-08-03T06:25:40.837528Z"
+     "iopub.execute_input": "2026-08-04T13:25:01.752891Z",
+     "iopub.status.busy": "2026-08-04T13:25:01.752755Z",
+     "iopub.status.idle": "2026-08-04T13:25:01.755823Z",
+     "shell.execute_reply": "2026-08-04T13:25:01.755486Z"
     }
    },
    "outputs": [
@@ -1538,7 +1544,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "814fb9a5",
+   "id": "b9885f3f",
    "metadata": {},
    "source": [
     "## What matverse does not do\n",
diff --git a/matverse_guide/docs/tutorials/getting_started.ipynb b/matverse_guide/docs/tutorials/getting_started.ipynb
index ed8689b..8c064c1 100644
--- a/matverse_guide/docs/tutorials/getting_started.ipynb
+++ b/matverse_guide/docs/tutorials/getting_started.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "030637c0",
+   "id": "bc0b3b99",
    "metadata": {},
    "source": [
     "# Screening real materials with matverse\n",
@@ -25,13 +25,13 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "4e8340bf",
+   "id": "6d6fe4b4",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:02.974431Z",
-     "iopub.status.busy": "2026-08-03T06:21:02.974352Z",
-     "iopub.status.idle": "2026-08-03T06:21:06.248356Z",
-     "shell.execute_reply": "2026-08-03T06:21:06.247829Z"
+     "iopub.execute_input": "2026-08-04T13:19:01.608741Z",
+     "iopub.status.busy": "2026-08-04T13:19:01.608660Z",
+     "iopub.status.idle": "2026-08-04T13:19:07.588360Z",
+     "shell.execute_reply": "2026-08-04T13:19:07.587836Z"
     }
    },
    "outputs": [
@@ -39,20 +39,26 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "🔬 Starting plot initialization...\n",
-      "🧪 Calculators available: 6\n",
-      "    • emt — EMT (LGPL-2.1)\n",
-      "    • lj — Lennard-Jones (LGPL-2.1)\n",
-      "    • mace-mpa — mace-mpa (unstated)\n",
-      "    • mace-omat — mace-omat (unstated)\n",
-      "    • sevennet — sevennet (unstated)\n",
-      "    • chgnet — chgnet (unstated)\n"
+      "🔬 Starting plot initialization...\n"
      ]
     },
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
+      "🧪 Calculators available: 12\n",
+      "    • emt — EMT (LGPL-2.1)\n",
+      "    • lj — Lennard-Jones (LGPL-2.1)\n",
+      "    • mace-mpa — mace-mpa (unstated)\n",
+      "    • mace-omat — mace-omat (unstated)\n",
+      "    • sevennet — sevennet (unstated)\n",
+      "    • chgnet — chgnet (unstated)\n",
+      "    • m3gnet — M3GNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • m3gnet-r2scan — M3GNet-PES-MatPES-r2SCAN-2025.2 (BSD-3-Clause)\n",
+      "    • tensornet — TensorNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • orb — ORB v3 conservative (Apache-2.0)\n",
+      "    • gpaw-pbe — GPAW PBE, PW(500 eV) (GPL-3.0)\n",
+      "    • gpaw-pbe-fast — GPAW PBE, PW(400 eV) (GPL-3.0)\n",
       "🖥️ NVIDIA CUDA GPUs: 1\n",
       "    • [CUDA 0] NVIDIA H100 80GB HBM3 — 79.1 GB, compute 9.0\n",
       "\n",
@@ -62,7 +68,7 @@
       " / / / / / / /_/ / /_ | |/ /  __/ /  (__  )  __/\n",
       "/_/ /_/ /_/\\__,_/\\__/ |___/\\___/_/  /____/\\___/\n",
       "\n",
-      "🔖 Version: 0.1.71   🧮 Functions: 213   📚 Tutorials: https://matverse.readthedocs.io/\n",
+      "🔖 Version: 0.1.71   🧮 Functions: 214   📚 Tutorials: https://matverse.readthedocs.io/\n",
       "✅ set_style complete.\n",
       "\n"
      ]
@@ -78,7 +84,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "7dcd3383",
+   "id": "6a8fd8ae",
    "metadata": {},
    "source": [
     "## Loading a dataset\n",
@@ -107,13 +113,13 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "d864183a",
+   "id": "ed723424",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:06.249652Z",
-     "iopub.status.busy": "2026-08-03T06:21:06.249334Z",
-     "iopub.status.idle": "2026-08-03T06:21:06.252798Z",
-     "shell.execute_reply": "2026-08-03T06:21:06.252454Z"
+     "iopub.execute_input": "2026-08-04T13:19:07.589721Z",
+     "iopub.status.busy": "2026-08-04T13:19:07.589375Z",
+     "iopub.status.idle": "2026-08-04T13:19:07.594371Z",
+     "shell.execute_reply": "2026-08-04T13:19:07.593784Z"
     }
    },
    "outputs": [
@@ -149,13 +155,13 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "989ebd67",
+   "id": "22188072",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:06.253573Z",
-     "iopub.status.busy": "2026-08-03T06:21:06.253486Z",
-     "iopub.status.idle": "2026-08-03T06:21:06.334469Z",
-     "shell.execute_reply": "2026-08-03T06:21:06.334033Z"
+     "iopub.execute_input": "2026-08-04T13:19:07.595495Z",
+     "iopub.status.busy": "2026-08-04T13:19:07.595369Z",
+     "iopub.status.idle": "2026-08-04T13:19:07.645805Z",
+     "shell.execute_reply": "2026-08-04T13:19:07.645340Z"
     }
    },
    "outputs": [
@@ -182,7 +188,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "35ac8187",
+   "id": "70a72d59",
    "metadata": {},
    "source": [
     "`X` is the composition matrix and `var` is the periodic table. Neither was asked\n",
@@ -197,13 +203,13 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "e2d18331",
+   "id": "e415475e",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:06.335558Z",
-     "iopub.status.busy": "2026-08-03T06:21:06.335325Z",
-     "iopub.status.idle": "2026-08-03T06:21:06.342683Z",
-     "shell.execute_reply": "2026-08-03T06:21:06.342258Z"
+     "iopub.execute_input": "2026-08-04T13:19:07.649889Z",
+     "iopub.status.busy": "2026-08-04T13:19:07.649593Z",
+     "iopub.status.idle": "2026-08-04T13:19:07.662973Z",
+     "shell.execute_reply": "2026-08-04T13:19:07.662501Z"
     }
    },
    "outputs": [
@@ -297,13 +303,13 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "6b0338d0",
+   "id": "d48abdb6",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:06.343564Z",
-     "iopub.status.busy": "2026-08-03T06:21:06.343474Z",
-     "iopub.status.idle": "2026-08-03T06:21:06.349169Z",
-     "shell.execute_reply": "2026-08-03T06:21:06.348757Z"
+     "iopub.execute_input": "2026-08-04T13:19:07.664185Z",
+     "iopub.status.busy": "2026-08-04T13:19:07.664042Z",
+     "iopub.status.idle": "2026-08-04T13:19:07.671760Z",
+     "shell.execute_reply": "2026-08-04T13:19:07.671308Z"
     }
    },
    "outputs": [
@@ -410,7 +416,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "787212cf",
+   "id": "3672c9c6",
    "metadata": {},
    "source": [
     "Because `var` is the periodic table, the natural display of anything\n",
@@ -421,13 +427,13 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "d75f57c9",
+   "id": "962860bf",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:06.349980Z",
-     "iopub.status.busy": "2026-08-03T06:21:06.349888Z",
-     "iopub.status.idle": "2026-08-03T06:21:06.697906Z",
-     "shell.execute_reply": "2026-08-03T06:21:06.697502Z"
+     "iopub.execute_input": "2026-08-04T13:19:07.673619Z",
+     "iopub.status.busy": "2026-08-04T13:19:07.673141Z",
+     "iopub.status.idle": "2026-08-04T13:19:08.271247Z",
+     "shell.execute_reply": "2026-08-04T13:19:08.270435Z"
     }
    },
    "outputs": [
@@ -466,7 +472,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "d5eeadb5",
+   "id": "8e17156c",
    "metadata": {},
    "source": [
     "And you can just look at one, which catches the mistakes a number will not\n",
@@ -477,13 +483,13 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "9c639314",
+   "id": "0632d465",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:06.698860Z",
-     "iopub.status.busy": "2026-08-03T06:21:06.698763Z",
-     "iopub.status.idle": "2026-08-03T06:21:06.924111Z",
-     "shell.execute_reply": "2026-08-03T06:21:06.923686Z"
+     "iopub.execute_input": "2026-08-04T13:19:08.272562Z",
+     "iopub.status.busy": "2026-08-04T13:19:08.272423Z",
+     "iopub.status.idle": "2026-08-04T13:19:08.555491Z",
+     "shell.execute_reply": "2026-08-04T13:19:08.554976Z"
     }
    },
    "outputs": [
@@ -520,7 +526,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "7ca31cf7",
+   "id": "1c18101b",
    "metadata": {},
    "source": [
     "With `py3Dmol` installed the default backend is an interactive viewer instead.\n",
@@ -540,13 +546,13 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "f45bd5f2",
+   "id": "d0510a34",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:06.925064Z",
-     "iopub.status.busy": "2026-08-03T06:21:06.924924Z",
-     "iopub.status.idle": "2026-08-03T06:21:07.264119Z",
-     "shell.execute_reply": "2026-08-03T06:21:07.263714Z"
+     "iopub.execute_input": "2026-08-04T13:19:08.556999Z",
+     "iopub.status.busy": "2026-08-04T13:19:08.556793Z",
+     "iopub.status.idle": "2026-08-04T13:19:08.805009Z",
+     "shell.execute_reply": "2026-08-04T13:19:08.804715Z"
     }
    },
    "outputs": [
@@ -633,13 +639,13 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "5a315a57",
+   "id": "0a127ed9",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:07.265067Z",
-     "iopub.status.busy": "2026-08-03T06:21:07.264926Z",
-     "iopub.status.idle": "2026-08-03T06:21:11.976822Z",
-     "shell.execute_reply": "2026-08-03T06:21:11.976336Z"
+     "iopub.execute_input": "2026-08-04T13:19:08.806570Z",
+     "iopub.status.busy": "2026-08-04T13:19:08.806380Z",
+     "iopub.status.idle": "2026-08-04T13:19:15.506496Z",
+     "shell.execute_reply": "2026-08-04T13:19:15.505963Z"
     }
    },
    "outputs": [
@@ -716,13 +722,13 @@
   {
    "cell_type": "code",
    "execution_count": 10,
-   "id": "6792460a",
+   "id": "c6986ae2",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:11.977833Z",
-     "iopub.status.busy": "2026-08-03T06:21:11.977724Z",
-     "iopub.status.idle": "2026-08-03T06:21:12.226781Z",
-     "shell.execute_reply": "2026-08-03T06:21:12.226365Z"
+     "iopub.execute_input": "2026-08-04T13:19:15.507754Z",
+     "iopub.status.busy": "2026-08-04T13:19:15.507600Z",
+     "iopub.status.idle": "2026-08-04T13:19:15.774529Z",
+     "shell.execute_reply": "2026-08-04T13:19:15.773711Z"
     }
    },
    "outputs": [
@@ -808,13 +814,13 @@
   {
    "cell_type": "code",
    "execution_count": 11,
-   "id": "14ee86fb",
+   "id": "7918bafb",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:12.227648Z",
-     "iopub.status.busy": "2026-08-03T06:21:12.227558Z",
-     "iopub.status.idle": "2026-08-03T06:21:12.234908Z",
-     "shell.execute_reply": "2026-08-03T06:21:12.234412Z"
+     "iopub.execute_input": "2026-08-04T13:19:15.775739Z",
+     "iopub.status.busy": "2026-08-04T13:19:15.775601Z",
+     "iopub.status.idle": "2026-08-04T13:19:15.789771Z",
+     "shell.execute_reply": "2026-08-04T13:19:15.789061Z"
     }
    },
    "outputs": [
@@ -904,7 +910,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "3c41f234",
+   "id": "c75fd7f9",
    "metadata": {},
    "source": [
     "The cheapest possible statement about electronic structure: line up the atomic\n",
@@ -931,7 +937,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "9d766f49",
+   "id": "3a8ea4a5",
    "metadata": {},
    "source": [
     "`spacegroup` gives the symbol. This gives what the symbol *implies* — and\n",
@@ -950,7 +956,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "8ee227dc",
+   "id": "58f6aef4",
    "metadata": {},
    "source": [
     "A space group says which symmetries a structure has. A **prototype** says which\n",
@@ -969,7 +975,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e406c29d",
+   "id": "e37ca9ca",
    "metadata": {},
    "source": [
     "`spacegroup` is determined from the deposited coordinates, not copied from a\n",
@@ -991,13 +997,13 @@
   {
    "cell_type": "code",
    "execution_count": 12,
-   "id": "f5c622c9",
+   "id": "cb777fc5",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:12.235730Z",
-     "iopub.status.busy": "2026-08-03T06:21:12.235643Z",
-     "iopub.status.idle": "2026-08-03T06:21:12.595959Z",
-     "shell.execute_reply": "2026-08-03T06:21:12.595532Z"
+     "iopub.execute_input": "2026-08-04T13:19:15.791116Z",
+     "iopub.status.busy": "2026-08-04T13:19:15.790700Z",
+     "iopub.status.idle": "2026-08-04T13:19:15.881874Z",
+     "shell.execute_reply": "2026-08-04T13:19:15.881326Z"
     }
    },
    "outputs": [
@@ -1021,13 +1027,13 @@
   {
    "cell_type": "code",
    "execution_count": 13,
-   "id": "0ed02acc",
+   "id": "6a9f3c00",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:12.596846Z",
-     "iopub.status.busy": "2026-08-03T06:21:12.596755Z",
-     "iopub.status.idle": "2026-08-03T06:21:12.727748Z",
-     "shell.execute_reply": "2026-08-03T06:21:12.727357Z"
+     "iopub.execute_input": "2026-08-04T13:19:15.883130Z",
+     "iopub.status.busy": "2026-08-04T13:19:15.882908Z",
+     "iopub.status.idle": "2026-08-04T13:19:16.028608Z",
+     "shell.execute_reply": "2026-08-04T13:19:16.027854Z"
     }
    },
    "outputs": [
@@ -1064,7 +1070,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "0905bff2",
+   "id": "7ac6c2da",
    "metadata": {},
    "source": [
     "LiFePO₄ and NaFePO₄ are the same framework with a different alkali, and the\n",
@@ -1079,13 +1085,13 @@
   {
    "cell_type": "code",
    "execution_count": 14,
-   "id": "a1a29b0f",
+   "id": "9cb57963",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:12.728578Z",
-     "iopub.status.busy": "2026-08-03T06:21:12.728487Z",
-     "iopub.status.idle": "2026-08-03T06:21:12.734300Z",
-     "shell.execute_reply": "2026-08-03T06:21:12.733955Z"
+     "iopub.execute_input": "2026-08-04T13:19:16.029811Z",
+     "iopub.status.busy": "2026-08-04T13:19:16.029676Z",
+     "iopub.status.idle": "2026-08-04T13:19:16.036524Z",
+     "shell.execute_reply": "2026-08-04T13:19:16.036073Z"
     }
    },
    "outputs": [
@@ -1159,7 +1165,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "53d79450",
+   "id": "750e20a9",
    "metadata": {},
    "source": [
     "Row 1 comes back at 1.00 and the runner-up at 0.06, which is the margin you want\n",
@@ -1183,13 +1189,13 @@
   {
    "cell_type": "code",
    "execution_count": 15,
-   "id": "c7f82ae7",
+   "id": "9ca0187d",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:12.735150Z",
-     "iopub.status.busy": "2026-08-03T06:21:12.735069Z",
-     "iopub.status.idle": "2026-08-03T06:21:12.737541Z",
-     "shell.execute_reply": "2026-08-03T06:21:12.737221Z"
+     "iopub.execute_input": "2026-08-04T13:19:16.037498Z",
+     "iopub.status.busy": "2026-08-04T13:19:16.037388Z",
+     "iopub.status.idle": "2026-08-04T13:19:16.042376Z",
+     "shell.execute_reply": "2026-08-04T13:19:16.041714Z"
     }
    },
    "outputs": [
@@ -1216,7 +1222,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "1040b3d0",
+   "id": "c99a8562",
    "metadata": {},
    "source": [
     "ASE's effective-medium theory is the only calculator matverse ships working. It\n",
@@ -1232,13 +1238,13 @@
   {
    "cell_type": "code",
    "execution_count": 16,
-   "id": "be04a61b",
+   "id": "e0e73fa2",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:12.738231Z",
-     "iopub.status.busy": "2026-08-03T06:21:12.738150Z",
-     "iopub.status.idle": "2026-08-03T06:21:12.740865Z",
-     "shell.execute_reply": "2026-08-03T06:21:12.740555Z"
+     "iopub.execute_input": "2026-08-04T13:19:16.043460Z",
+     "iopub.status.busy": "2026-08-04T13:19:16.043325Z",
+     "iopub.status.idle": "2026-08-04T13:19:16.046999Z",
+     "shell.execute_reply": "2026-08-04T13:19:16.046572Z"
     }
    },
    "outputs": [
@@ -1273,7 +1279,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b2bcec1f",
+   "id": "0a6c7625",
    "metadata": {},
    "source": [
     "Registered, with its provenance attached — the method, the level of theory it\n",
@@ -1287,13 +1293,13 @@
   {
    "cell_type": "code",
    "execution_count": 17,
-   "id": "4a8544b6",
+   "id": "26b47521",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:12.741548Z",
-     "iopub.status.busy": "2026-08-03T06:21:12.741469Z",
-     "iopub.status.idle": "2026-08-03T06:21:12.752805Z",
-     "shell.execute_reply": "2026-08-03T06:21:12.752466Z"
+     "iopub.execute_input": "2026-08-04T13:19:16.048118Z",
+     "iopub.status.busy": "2026-08-04T13:19:16.047990Z",
+     "iopub.status.idle": "2026-08-04T13:19:16.062458Z",
+     "shell.execute_reply": "2026-08-04T13:19:16.061963Z"
     }
    },
    "outputs": [
@@ -1385,7 +1391,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "6b6caa28",
+   "id": "0ca3e4b3",
    "metadata": {},
    "source": [
     "Published room-temperature lattice parameters for the seven face-centred cubic\n",
@@ -1395,13 +1401,13 @@
   {
    "cell_type": "code",
    "execution_count": 18,
-   "id": "5f154c4f",
+   "id": "9c21d14b",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:12.753621Z",
-     "iopub.status.busy": "2026-08-03T06:21:12.753537Z",
-     "iopub.status.idle": "2026-08-03T06:21:12.944736Z",
-     "shell.execute_reply": "2026-08-03T06:21:12.944310Z"
+     "iopub.execute_input": "2026-08-04T13:19:16.063493Z",
+     "iopub.status.busy": "2026-08-04T13:19:16.063355Z",
+     "iopub.status.idle": "2026-08-04T13:19:16.372653Z",
+     "shell.execute_reply": "2026-08-04T13:19:16.371848Z"
     }
    },
    "outputs": [
@@ -1504,13 +1510,13 @@
   {
    "cell_type": "code",
    "execution_count": 19,
-   "id": "a3ea1973",
+   "id": "29322a25",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:12.945612Z",
-     "iopub.status.busy": "2026-08-03T06:21:12.945516Z",
-     "iopub.status.idle": "2026-08-03T06:21:12.947926Z",
-     "shell.execute_reply": "2026-08-03T06:21:12.947341Z"
+     "iopub.execute_input": "2026-08-04T13:19:16.373824Z",
+     "iopub.status.busy": "2026-08-04T13:19:16.373699Z",
+     "iopub.status.idle": "2026-08-04T13:19:16.377096Z",
+     "shell.execute_reply": "2026-08-04T13:19:16.376648Z"
     }
    },
    "outputs": [
@@ -1531,7 +1537,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "dcfe97e7",
+   "id": "6f3e8241",
    "metadata": {},
    "source": [
     "The relaxed geometry becomes its own **variant** rather than replacing the\n",
@@ -1547,13 +1553,13 @@
   {
    "cell_type": "code",
    "execution_count": 20,
-   "id": "7790a4db",
+   "id": "33ede086",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:12.948825Z",
-     "iopub.status.busy": "2026-08-03T06:21:12.948722Z",
-     "iopub.status.idle": "2026-08-03T06:21:13.289001Z",
-     "shell.execute_reply": "2026-08-03T06:21:13.288569Z"
+     "iopub.execute_input": "2026-08-04T13:19:16.378173Z",
+     "iopub.status.busy": "2026-08-04T13:19:16.378047Z",
+     "iopub.status.idle": "2026-08-04T13:19:16.746908Z",
+     "shell.execute_reply": "2026-08-04T13:19:16.746235Z"
     }
    },
    "outputs": [
@@ -1682,7 +1688,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "31e82e07",
+   "id": "4807ac98",
    "metadata": {},
    "source": [
     "Worth comparing against measured values rather than accepting:\n",
@@ -1726,20 +1732,20 @@
   {
    "cell_type": "code",
    "execution_count": 21,
-   "id": "5be72683",
+   "id": "e1cb0804",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:13.289978Z",
-     "iopub.status.busy": "2026-08-03T06:21:13.289854Z",
-     "iopub.status.idle": "2026-08-03T06:21:13.413739Z",
-     "shell.execute_reply": "2026-08-03T06:21:13.413317Z"
+     "iopub.execute_input": "2026-08-04T13:19:16.748672Z",
+     "iopub.status.busy": "2026-08-04T13:19:16.748087Z",
+     "iopub.status.idle": "2026-08-04T13:19:16.884203Z",
+     "shell.execute_reply": "2026-08-04T13:19:16.883673Z"
     }
    },
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "<matplotlib.legend.Legend at 0x7f7623c4bbc0>"
+       "<matplotlib.legend.Legend at 0x7fa7ecb4f1a0>"
       ]
      },
      "execution_count": 21,
@@ -1782,7 +1788,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "4a262fe2",
+   "id": "70022118",
    "metadata": {},
    "source": [
     "Aluminium is the outlier, platinum is high, and the middle five track closely.\n",
@@ -1801,13 +1807,13 @@
   {
    "cell_type": "code",
    "execution_count": 22,
-   "id": "70382afd",
+   "id": "6ffb55a4",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:13.414800Z",
-     "iopub.status.busy": "2026-08-03T06:21:13.414639Z",
-     "iopub.status.idle": "2026-08-03T06:21:13.553686Z",
-     "shell.execute_reply": "2026-08-03T06:21:13.553279Z"
+     "iopub.execute_input": "2026-08-04T13:19:16.885722Z",
+     "iopub.status.busy": "2026-08-04T13:19:16.885582Z",
+     "iopub.status.idle": "2026-08-04T13:19:17.037985Z",
+     "shell.execute_reply": "2026-08-04T13:19:17.037501Z"
     }
    },
    "outputs": [
@@ -1947,7 +1953,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "ad5a196d",
+   "id": "7b8f54cd",
    "metadata": {},
    "source": [
     "Within 1.1% across seven metals and two independent implementations, and under\n",
@@ -1977,13 +1983,13 @@
   {
    "cell_type": "code",
    "execution_count": 23,
-   "id": "a841eb6a",
+   "id": "a8ff94b3",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:13.554559Z",
-     "iopub.status.busy": "2026-08-03T06:21:13.554471Z",
-     "iopub.status.idle": "2026-08-03T06:21:13.685103Z",
-     "shell.execute_reply": "2026-08-03T06:21:13.684672Z"
+     "iopub.execute_input": "2026-08-04T13:19:17.039213Z",
+     "iopub.status.busy": "2026-08-04T13:19:17.039085Z",
+     "iopub.status.idle": "2026-08-04T13:19:17.193464Z",
+     "shell.execute_reply": "2026-08-04T13:19:17.192990Z"
     }
    },
    "outputs": [
@@ -2022,7 +2028,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "4fdf9b6d",
+   "id": "54d5ea65",
    "metadata": {},
    "source": [
     "## Off the zero-kelvin hull\n",
@@ -2037,13 +2043,13 @@
   {
    "cell_type": "code",
    "execution_count": 24,
-   "id": "d76fd1b8",
+   "id": "8bf8cded",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:13.686303Z",
-     "iopub.status.busy": "2026-08-03T06:21:13.686151Z",
-     "iopub.status.idle": "2026-08-03T06:21:13.920323Z",
-     "shell.execute_reply": "2026-08-03T06:21:13.919890Z"
+     "iopub.execute_input": "2026-08-04T13:19:17.194914Z",
+     "iopub.status.busy": "2026-08-04T13:19:17.194774Z",
+     "iopub.status.idle": "2026-08-04T13:19:17.463292Z",
+     "shell.execute_reply": "2026-08-04T13:19:17.462487Z"
     }
    },
    "outputs": [
@@ -2154,7 +2160,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "41f2dfa0",
+   "id": "037d96d0",
    "metadata": {},
    "source": [
     "| volumetric expansion, /K | matverse | experiment |\n",
@@ -2187,13 +2193,13 @@
   {
    "cell_type": "code",
    "execution_count": 25,
-   "id": "d2538a65",
+   "id": "9a37f23b",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:13.921218Z",
-     "iopub.status.busy": "2026-08-03T06:21:13.921130Z",
-     "iopub.status.idle": "2026-08-03T06:21:14.054702Z",
-     "shell.execute_reply": "2026-08-03T06:21:14.054264Z"
+     "iopub.execute_input": "2026-08-04T13:19:17.464369Z",
+     "iopub.status.busy": "2026-08-04T13:19:17.464250Z",
+     "iopub.status.idle": "2026-08-04T13:19:17.619336Z",
+     "shell.execute_reply": "2026-08-04T13:19:17.618794Z"
     }
    },
    "outputs": [
@@ -2231,7 +2237,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "c9565e0a",
+   "id": "c14cfc38",
    "metadata": {},
    "source": [
     "The phonons are also everything thermodynamics needs. `mv.prop.free_energy`\n",
@@ -2243,13 +2249,13 @@
   {
    "cell_type": "code",
    "execution_count": 26,
-   "id": "d492b43b",
+   "id": "cb7e1402",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:14.055601Z",
-     "iopub.status.busy": "2026-08-03T06:21:14.055512Z",
-     "iopub.status.idle": "2026-08-03T06:21:14.061889Z",
-     "shell.execute_reply": "2026-08-03T06:21:14.061520Z"
+     "iopub.execute_input": "2026-08-04T13:19:17.620432Z",
+     "iopub.status.busy": "2026-08-04T13:19:17.620297Z",
+     "iopub.status.idle": "2026-08-04T13:19:17.628201Z",
+     "shell.execute_reply": "2026-08-04T13:19:17.627783Z"
     }
    },
    "outputs": [
@@ -2351,7 +2357,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "4db8f943",
+   "id": "4d5e7b58",
    "metadata": {},
    "source": [
     "### The q-points a supercell cannot hold\n",
@@ -2381,13 +2387,13 @@
   {
    "cell_type": "code",
    "execution_count": 27,
-   "id": "85170c30",
+   "id": "18e19174",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:14.062746Z",
-     "iopub.status.busy": "2026-08-03T06:21:14.062606Z",
-     "iopub.status.idle": "2026-08-03T06:21:18.742966Z",
-     "shell.execute_reply": "2026-08-03T06:21:18.742504Z"
+     "iopub.execute_input": "2026-08-04T13:19:17.629377Z",
+     "iopub.status.busy": "2026-08-04T13:19:17.629256Z",
+     "iopub.status.idle": "2026-08-04T13:19:22.753215Z",
+     "shell.execute_reply": "2026-08-04T13:19:22.752646Z"
     }
    },
    "outputs": [
@@ -2421,7 +2427,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "774fafba",
+   "id": "26966242",
    "metadata": {},
    "source": [
     "Interpolation is also the only way to get a *dispersion*. A supercell holds a\n",
@@ -2437,13 +2443,13 @@
   {
    "cell_type": "code",
    "execution_count": 28,
-   "id": "a18eea4a",
+   "id": "786ec31d",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:18.743969Z",
-     "iopub.status.busy": "2026-08-03T06:21:18.743827Z",
-     "iopub.status.idle": "2026-08-03T06:21:19.155693Z",
-     "shell.execute_reply": "2026-08-03T06:21:19.155228Z"
+     "iopub.execute_input": "2026-08-04T13:19:22.754667Z",
+     "iopub.status.busy": "2026-08-04T13:19:22.754449Z",
+     "iopub.status.idle": "2026-08-04T13:19:23.222120Z",
+     "shell.execute_reply": "2026-08-04T13:19:23.221566Z"
     }
    },
    "outputs": [
@@ -2481,7 +2487,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b796c64f",
+   "id": "275f0f22",
    "metadata": {},
    "source": [
     "That is the check a hull cannot make, and the reason the two cells above are\n",
@@ -2505,13 +2511,13 @@
   {
    "cell_type": "code",
    "execution_count": 29,
-   "id": "ca253542",
+   "id": "f0fe741a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:19.156621Z",
-     "iopub.status.busy": "2026-08-03T06:21:19.156473Z",
-     "iopub.status.idle": "2026-08-03T06:21:19.390412Z",
-     "shell.execute_reply": "2026-08-03T06:21:19.389925Z"
+     "iopub.execute_input": "2026-08-04T13:19:23.223572Z",
+     "iopub.status.busy": "2026-08-04T13:19:23.223430Z",
+     "iopub.status.idle": "2026-08-04T13:19:23.484248Z",
+     "shell.execute_reply": "2026-08-04T13:19:23.483729Z"
     }
    },
    "outputs": [
@@ -2547,7 +2553,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "55d00e6c",
+   "id": "16d57c5a",
    "metadata": {},
    "source": [
     "The dashed line at zero is where `mv.pl.bands` would normally draw the Fermi\n",
@@ -2573,13 +2579,13 @@
   {
    "cell_type": "code",
    "execution_count": 30,
-   "id": "e2be31c2",
+   "id": "edfda215",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:19.391557Z",
-     "iopub.status.busy": "2026-08-03T06:21:19.391453Z",
-     "iopub.status.idle": "2026-08-03T06:21:19.405721Z",
-     "shell.execute_reply": "2026-08-03T06:21:19.405310Z"
+     "iopub.execute_input": "2026-08-04T13:19:23.485492Z",
+     "iopub.status.busy": "2026-08-04T13:19:23.485356Z",
+     "iopub.status.idle": "2026-08-04T13:19:23.500389Z",
+     "shell.execute_reply": "2026-08-04T13:19:23.499904Z"
     }
    },
    "outputs": [
@@ -2616,7 +2622,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "883209ca",
+   "id": "58f15453",
    "metadata": {},
    "source": [
     "The cell above prints a fallback rather than a table in the rendered docs,\n",
@@ -2669,13 +2675,13 @@
   {
    "cell_type": "code",
    "execution_count": 31,
-   "id": "f16821b8",
+   "id": "34db8c71",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:19.406504Z",
-     "iopub.status.busy": "2026-08-03T06:21:19.406415Z",
-     "iopub.status.idle": "2026-08-03T06:21:19.409557Z",
-     "shell.execute_reply": "2026-08-03T06:21:19.409067Z"
+     "iopub.execute_input": "2026-08-04T13:19:23.501641Z",
+     "iopub.status.busy": "2026-08-04T13:19:23.501443Z",
+     "iopub.status.idle": "2026-08-04T13:19:23.504953Z",
+     "shell.execute_reply": "2026-08-04T13:19:23.504437Z"
     }
    },
    "outputs": [
@@ -2705,13 +2711,13 @@
   {
    "cell_type": "code",
    "execution_count": 32,
-   "id": "854aeb01",
+   "id": "50fa9809",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:19.410417Z",
-     "iopub.status.busy": "2026-08-03T06:21:19.410269Z",
-     "iopub.status.idle": "2026-08-03T06:21:19.415780Z",
-     "shell.execute_reply": "2026-08-03T06:21:19.415407Z"
+     "iopub.execute_input": "2026-08-04T13:19:23.506048Z",
+     "iopub.status.busy": "2026-08-04T13:19:23.505924Z",
+     "iopub.status.idle": "2026-08-04T13:19:23.513145Z",
+     "shell.execute_reply": "2026-08-04T13:19:23.512628Z"
     }
    },
    "outputs": [
@@ -2819,7 +2825,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f7085280",
+   "id": "7f31e963",
    "metadata": {},
    "source": [
     "Subset when you actually want the short list — the object is an ordinary\n",
@@ -2835,13 +2841,13 @@
   {
    "cell_type": "code",
    "execution_count": 33,
-   "id": "b5bed882",
+   "id": "8b57d805",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:19.416566Z",
-     "iopub.status.busy": "2026-08-03T06:21:19.416479Z",
-     "iopub.status.idle": "2026-08-03T06:21:19.427974Z",
-     "shell.execute_reply": "2026-08-03T06:21:19.427591Z"
+     "iopub.execute_input": "2026-08-04T13:19:23.514344Z",
+     "iopub.status.busy": "2026-08-04T13:19:23.514128Z",
+     "iopub.status.idle": "2026-08-04T13:19:23.526645Z",
+     "shell.execute_reply": "2026-08-04T13:19:23.526168Z"
     }
    },
    "outputs": [
@@ -2959,7 +2965,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b275a8f4",
+   "id": "7f39bc03",
    "metadata": {},
    "source": [
     "With seven elementals this is a formality. On a library of thousands it is the\n",
@@ -2972,13 +2978,13 @@
   {
    "cell_type": "code",
    "execution_count": 34,
-   "id": "52c8ca62",
+   "id": "16dc88c5",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:19.428787Z",
-     "iopub.status.busy": "2026-08-03T06:21:19.428700Z",
-     "iopub.status.idle": "2026-08-03T06:21:19.430726Z",
-     "shell.execute_reply": "2026-08-03T06:21:19.430368Z"
+     "iopub.execute_input": "2026-08-04T13:19:23.527682Z",
+     "iopub.status.busy": "2026-08-04T13:19:23.527557Z",
+     "iopub.status.idle": "2026-08-04T13:19:23.531090Z",
+     "shell.execute_reply": "2026-08-04T13:19:23.530229Z"
     }
    },
    "outputs": [
@@ -3012,13 +3018,13 @@
   {
    "cell_type": "code",
    "execution_count": 35,
-   "id": "a29dde09",
+   "id": "1d576a3d",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:19.431460Z",
-     "iopub.status.busy": "2026-08-03T06:21:19.431374Z",
-     "iopub.status.idle": "2026-08-03T06:21:19.663095Z",
-     "shell.execute_reply": "2026-08-03T06:21:19.662679Z"
+     "iopub.execute_input": "2026-08-04T13:19:23.532219Z",
+     "iopub.status.busy": "2026-08-04T13:19:23.532088Z",
+     "iopub.status.idle": "2026-08-04T13:19:23.781061Z",
+     "shell.execute_reply": "2026-08-04T13:19:23.780514Z"
     }
    },
    "outputs": [
@@ -3044,7 +3050,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "990f3b11",
+   "id": "6c2ff308",
    "metadata": {},
    "source": [
     "Parameters are recorded with each call, so the history replays as code rather\n",
diff --git a/matverse_guide/docs/tutorials/infrastructure.ipynb b/matverse_guide/docs/tutorials/infrastructure.ipynb
index 9c4e627..af14cd0 100644
--- a/matverse_guide/docs/tutorials/infrastructure.ipynb
+++ b/matverse_guide/docs/tutorials/infrastructure.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "59c82ce0",
+   "id": "64f6864a",
    "metadata": {},
    "source": [
     "# Infrastructure\n",
@@ -18,13 +18,13 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "46f120ab",
+   "id": "845f5e43",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:02.674910Z",
-     "iopub.status.busy": "2026-08-03T06:26:02.674827Z",
-     "iopub.status.idle": "2026-08-03T06:26:05.750800Z",
-     "shell.execute_reply": "2026-08-03T06:26:05.750340Z"
+     "iopub.execute_input": "2026-08-04T13:25:37.499375Z",
+     "iopub.status.busy": "2026-08-04T13:25:37.499244Z",
+     "iopub.status.idle": "2026-08-04T13:25:42.186398Z",
+     "shell.execute_reply": "2026-08-04T13:25:42.185831Z"
     }
    },
    "outputs": [
@@ -32,20 +32,26 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "🔬 Starting plot initialization...\n",
-      "🧪 Calculators available: 6\n",
-      "    • emt — EMT (LGPL-2.1)\n",
-      "    • lj — Lennard-Jones (LGPL-2.1)\n",
-      "    • mace-mpa — mace-mpa (unstated)\n",
-      "    • mace-omat — mace-omat (unstated)\n",
-      "    • sevennet — sevennet (unstated)\n",
-      "    • chgnet — chgnet (unstated)\n"
+      "🔬 Starting plot initialization...\n"
      ]
     },
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
+      "🧪 Calculators available: 12\n",
+      "    • emt — EMT (LGPL-2.1)\n",
+      "    • lj — Lennard-Jones (LGPL-2.1)\n",
+      "    • mace-mpa — mace-mpa (unstated)\n",
+      "    • mace-omat — mace-omat (unstated)\n",
+      "    • sevennet — sevennet (unstated)\n",
+      "    • chgnet — chgnet (unstated)\n",
+      "    • m3gnet — M3GNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • m3gnet-r2scan — M3GNet-PES-MatPES-r2SCAN-2025.2 (BSD-3-Clause)\n",
+      "    • tensornet — TensorNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • orb — ORB v3 conservative (Apache-2.0)\n",
+      "    • gpaw-pbe — GPAW PBE, PW(500 eV) (GPL-3.0)\n",
+      "    • gpaw-pbe-fast — GPAW PBE, PW(400 eV) (GPL-3.0)\n",
       "🖥️ NVIDIA CUDA GPUs: 1\n",
       "    • [CUDA 0] NVIDIA H100 80GB HBM3 — 79.1 GB, compute 9.0\n",
       "\n",
@@ -55,7 +61,7 @@
       " / / / / / / /_/ / /_ | |/ /  __/ /  (__  )  __/\n",
       "/_/ /_/ /_/\\__,_/\\__/ |___/\\___/_/  /____/\\___/\n",
       "\n",
-      "🔖 Version: 0.1.71   🧮 Functions: 213   📚 Tutorials: https://matverse.readthedocs.io/\n",
+      "🔖 Version: 0.1.71   🧮 Functions: 214   📚 Tutorials: https://matverse.readthedocs.io/\n",
       "✅ set_style complete.\n",
       "\n"
      ]
@@ -72,13 +78,13 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "a59f989f",
+   "id": "e9250062",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:05.751991Z",
-     "iopub.status.busy": "2026-08-03T06:26:05.751725Z",
-     "iopub.status.idle": "2026-08-03T06:26:05.897094Z",
-     "shell.execute_reply": "2026-08-03T06:26:05.896677Z"
+     "iopub.execute_input": "2026-08-04T13:25:42.187775Z",
+     "iopub.status.busy": "2026-08-04T13:25:42.187433Z",
+     "iopub.status.idle": "2026-08-04T13:25:42.230909Z",
+     "shell.execute_reply": "2026-08-04T13:25:42.230413Z"
     }
    },
    "outputs": [
@@ -173,7 +179,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "fa172a52",
+   "id": "c9df788e",
    "metadata": {},
    "source": [
     "## What is this object carrying?\n",
@@ -185,13 +191,13 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "e468a724",
+   "id": "33047824",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:05.898059Z",
-     "iopub.status.busy": "2026-08-03T06:26:05.897958Z",
-     "iopub.status.idle": "2026-08-03T06:26:05.899976Z",
-     "shell.execute_reply": "2026-08-03T06:26:05.899646Z"
+     "iopub.execute_input": "2026-08-04T13:25:42.231922Z",
+     "iopub.status.busy": "2026-08-04T13:25:42.231740Z",
+     "iopub.status.idle": "2026-08-04T13:25:42.234222Z",
+     "shell.execute_reply": "2026-08-04T13:25:42.233721Z"
     }
    },
    "outputs": [
@@ -217,7 +223,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "165d591c",
+   "id": "343f73d8",
    "metadata": {},
    "source": [
     "## Units\n",
@@ -230,13 +236,13 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "bf1e0c5f",
+   "id": "008b34ec",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:05.900852Z",
-     "iopub.status.busy": "2026-08-03T06:26:05.900738Z",
-     "iopub.status.idle": "2026-08-03T06:26:05.903112Z",
-     "shell.execute_reply": "2026-08-03T06:26:05.902705Z"
+     "iopub.execute_input": "2026-08-04T13:25:42.235110Z",
+     "iopub.status.busy": "2026-08-04T13:25:42.235003Z",
+     "iopub.status.idle": "2026-08-04T13:25:42.237538Z",
+     "shell.execute_reply": "2026-08-04T13:25:42.237114Z"
     }
    },
    "outputs": [
@@ -268,13 +274,13 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "032af6a2",
+   "id": "846dba8b",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:05.903946Z",
-     "iopub.status.busy": "2026-08-03T06:26:05.903845Z",
-     "iopub.status.idle": "2026-08-03T06:26:05.906363Z",
-     "shell.execute_reply": "2026-08-03T06:26:05.906030Z"
+     "iopub.execute_input": "2026-08-04T13:25:42.238522Z",
+     "iopub.status.busy": "2026-08-04T13:25:42.238324Z",
+     "iopub.status.idle": "2026-08-04T13:25:42.241413Z",
+     "shell.execute_reply": "2026-08-04T13:25:42.240950Z"
     }
    },
    "outputs": [
@@ -304,7 +310,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "9ac68666",
+   "id": "d2422ccb",
    "metadata": {},
    "source": [
     "Every column matverse wrote has a unit; `lattice_parameter` and `nsites` come\n",
@@ -315,13 +321,13 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "9c8ad15f",
+   "id": "fe07dd58",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:05.907111Z",
-     "iopub.status.busy": "2026-08-03T06:26:05.907014Z",
-     "iopub.status.idle": "2026-08-03T06:26:05.910050Z",
-     "shell.execute_reply": "2026-08-03T06:26:05.909725Z"
+     "iopub.execute_input": "2026-08-04T13:25:42.242337Z",
+     "iopub.status.busy": "2026-08-04T13:25:42.242224Z",
+     "iopub.status.idle": "2026-08-04T13:25:42.245707Z",
+     "shell.execute_reply": "2026-08-04T13:25:42.245259Z"
     }
    },
    "outputs": [
@@ -345,7 +351,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "ecb34059",
+   "id": "ab0b8810",
    "metadata": {},
    "source": [
     "`mv.utils.convert` goes the other way — it takes a column in *someone else's*\n",
@@ -358,13 +364,13 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "d54e7019",
+   "id": "06341196",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:05.910800Z",
-     "iopub.status.busy": "2026-08-03T06:26:05.910715Z",
-     "iopub.status.idle": "2026-08-03T06:26:05.916691Z",
-     "shell.execute_reply": "2026-08-03T06:26:05.916350Z"
+     "iopub.execute_input": "2026-08-04T13:25:42.246591Z",
+     "iopub.status.busy": "2026-08-04T13:25:42.246486Z",
+     "iopub.status.idle": "2026-08-04T13:25:42.253087Z",
+     "shell.execute_reply": "2026-08-04T13:25:42.252661Z"
     }
    },
    "outputs": [
@@ -477,7 +483,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "fc2c06fe",
+   "id": "5e4c1e3e",
    "metadata": {},
    "source": [
     "`reported_energy_ev` and `energy_per_atom_emt` agree, which is the check worth\n",
@@ -493,13 +499,13 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "6c1179c5",
+   "id": "8c78d35a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:05.917408Z",
-     "iopub.status.busy": "2026-08-03T06:26:05.917328Z",
-     "iopub.status.idle": "2026-08-03T06:26:05.919442Z",
-     "shell.execute_reply": "2026-08-03T06:26:05.919070Z"
+     "iopub.execute_input": "2026-08-04T13:25:42.254009Z",
+     "iopub.status.busy": "2026-08-04T13:25:42.253900Z",
+     "iopub.status.idle": "2026-08-04T13:25:42.256446Z",
+     "shell.execute_reply": "2026-08-04T13:25:42.256010Z"
     }
    },
    "outputs": [
@@ -520,7 +526,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b4bf27b5",
+   "id": "0ac31de4",
    "metadata": {},
    "source": [
     "## Surviving a walltime limit\n",
@@ -534,13 +540,13 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "6f757f65",
+   "id": "155a5671",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:05.920340Z",
-     "iopub.status.busy": "2026-08-03T06:26:05.920218Z",
-     "iopub.status.idle": "2026-08-03T06:26:05.960313Z",
-     "shell.execute_reply": "2026-08-03T06:26:05.959920Z"
+     "iopub.execute_input": "2026-08-04T13:25:42.257273Z",
+     "iopub.status.busy": "2026-08-04T13:25:42.257164Z",
+     "iopub.status.idle": "2026-08-04T13:25:42.305889Z",
+     "shell.execute_reply": "2026-08-04T13:25:42.305430Z"
     }
    },
    "outputs": [
@@ -566,7 +572,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "09361cc4",
+   "id": "94ddadf6",
    "metadata": {},
    "source": [
     "`mv.utils.resume` answers the question a restarted job actually asks: *which\n",
@@ -576,13 +582,13 @@
   {
    "cell_type": "code",
    "execution_count": 10,
-   "id": "dc37d717",
+   "id": "91b2faae",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:05.961290Z",
-     "iopub.status.busy": "2026-08-03T06:26:05.961136Z",
-     "iopub.status.idle": "2026-08-03T06:26:05.988989Z",
-     "shell.execute_reply": "2026-08-03T06:26:05.988589Z"
+     "iopub.execute_input": "2026-08-04T13:25:42.307076Z",
+     "iopub.status.busy": "2026-08-04T13:25:42.306960Z",
+     "iopub.status.idle": "2026-08-04T13:25:42.338268Z",
+     "shell.execute_reply": "2026-08-04T13:25:42.337770Z"
     }
    },
    "outputs": [
@@ -609,7 +615,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "1e435ecb",
+   "id": "16bb99a9",
    "metadata": {},
    "source": [
     "Three rows were done before the job died; four remain. Note that this works on\n",
@@ -633,13 +639,13 @@
   {
    "cell_type": "code",
    "execution_count": 11,
-   "id": "6619aed1",
+   "id": "3eddadff",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:05.989829Z",
-     "iopub.status.busy": "2026-08-03T06:26:05.989738Z",
-     "iopub.status.idle": "2026-08-03T06:26:06.002555Z",
-     "shell.execute_reply": "2026-08-03T06:26:06.002128Z"
+     "iopub.execute_input": "2026-08-04T13:25:42.339311Z",
+     "iopub.status.busy": "2026-08-04T13:25:42.339196Z",
+     "iopub.status.idle": "2026-08-04T13:25:42.353646Z",
+     "shell.execute_reply": "2026-08-04T13:25:42.353181Z"
     }
    },
    "outputs": [
@@ -660,7 +666,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f98e2ed3",
+   "id": "7607ae89",
    "metadata": {},
    "source": [
     "`map_chunks` runs an operation over each piece, optionally checkpointing as it\n",
@@ -671,13 +677,13 @@
   {
    "cell_type": "code",
    "execution_count": 12,
-   "id": "80ee43b2",
+   "id": "daf6a688",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:06.003333Z",
-     "iopub.status.busy": "2026-08-03T06:26:06.003236Z",
-     "iopub.status.idle": "2026-08-03T06:26:06.138598Z",
-     "shell.execute_reply": "2026-08-03T06:26:06.138190Z"
+     "iopub.execute_input": "2026-08-04T13:25:42.354699Z",
+     "iopub.status.busy": "2026-08-04T13:25:42.354584Z",
+     "iopub.status.idle": "2026-08-04T13:25:42.506939Z",
+     "shell.execute_reply": "2026-08-04T13:25:42.506251Z"
     }
    },
    "outputs": [
@@ -708,13 +714,13 @@
   {
    "cell_type": "code",
    "execution_count": 13,
-   "id": "66464350",
+   "id": "0a26ce8a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:06.139465Z",
-     "iopub.status.busy": "2026-08-03T06:26:06.139374Z",
-     "iopub.status.idle": "2026-08-03T06:26:06.143949Z",
-     "shell.execute_reply": "2026-08-03T06:26:06.143582Z"
+     "iopub.execute_input": "2026-08-04T13:25:42.508484Z",
+     "iopub.status.busy": "2026-08-04T13:25:42.508309Z",
+     "iopub.status.idle": "2026-08-04T13:25:42.514146Z",
+     "shell.execute_reply": "2026-08-04T13:25:42.513730Z"
     }
    },
    "outputs": [
@@ -805,7 +811,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "188b651a",
+   "id": "74764576",
    "metadata": {},
    "source": [
     "The results landed on the parent object even though the work happened\n",
@@ -821,13 +827,13 @@
   {
    "cell_type": "code",
    "execution_count": 14,
-   "id": "07d272b6",
+   "id": "784e1407",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:06.144736Z",
-     "iopub.status.busy": "2026-08-03T06:26:06.144649Z",
-     "iopub.status.idle": "2026-08-03T06:26:06.147051Z",
-     "shell.execute_reply": "2026-08-03T06:26:06.146708Z"
+     "iopub.execute_input": "2026-08-04T13:25:42.515208Z",
+     "iopub.status.busy": "2026-08-04T13:25:42.515104Z",
+     "iopub.status.idle": "2026-08-04T13:25:42.518032Z",
+     "shell.execute_reply": "2026-08-04T13:25:42.517558Z"
     }
    },
    "outputs": [
@@ -872,7 +878,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "45db75a3",
+   "id": "34e7c2d5",
    "metadata": {},
    "source": [
     "### Submitting it\n",
@@ -885,21 +891,21 @@
   {
    "cell_type": "code",
    "execution_count": 15,
-   "id": "636a3f49",
+   "id": "2468cf43",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:06.147727Z",
-     "iopub.status.busy": "2026-08-03T06:26:06.147650Z",
-     "iopub.status.idle": "2026-08-03T06:26:06.149725Z",
-     "shell.execute_reply": "2026-08-03T06:26:06.149413Z"
+     "iopub.execute_input": "2026-08-04T13:25:42.518902Z",
+     "iopub.status.busy": "2026-08-04T13:25:42.518804Z",
+     "iopub.status.idle": "2026-08-04T13:25:42.521313Z",
+     "shell.execute_reply": "2026-08-04T13:25:42.520942Z"
     }
    },
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "{'script': '/tmp/tmpd_3kyryk/screen.sbatch',\n",
-       " 'command': 'sbatch /tmp/tmpd_3kyryk/screen.sbatch',\n",
+       "{'script': '/tmp/tmpqv_ij707/screen.sbatch',\n",
+       " 'command': 'sbatch /tmp/tmpqv_ij707/screen.sbatch',\n",
        " 'job_id': None,\n",
        " 'state': 'dry run'}"
       ]
@@ -916,7 +922,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "aa5c92d1",
+   "id": "409c8cb4",
    "metadata": {},
    "source": [
     "`dry_run=True` returns the command without running it, which is what you want\n",
@@ -930,21 +936,21 @@
   {
    "cell_type": "code",
    "execution_count": 16,
-   "id": "02b7f50a",
+   "id": "0ff28645",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:06.150382Z",
-     "iopub.status.busy": "2026-08-03T06:26:06.150305Z",
-     "iopub.status.idle": "2026-08-03T06:26:06.152330Z",
-     "shell.execute_reply": "2026-08-03T06:26:06.152001Z"
+     "iopub.execute_input": "2026-08-04T13:25:42.522582Z",
+     "iopub.status.busy": "2026-08-04T13:25:42.522487Z",
+     "iopub.status.idle": "2026-08-04T13:25:42.524896Z",
+     "shell.execute_reply": "2026-08-04T13:25:42.524511Z"
     }
    },
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "[{'script': '/tmp/tmpd_3kyryk/screen.sbatch',\n",
-       "  'command': 'sbatch /tmp/tmpd_3kyryk/screen.sbatch',\n",
+       "[{'script': '/tmp/tmpqv_ij707/screen.sbatch',\n",
+       "  'command': 'sbatch /tmp/tmpqv_ij707/screen.sbatch',\n",
        "  'job_id': None,\n",
        "  'state': 'dry run'}]"
       ]
@@ -961,13 +967,13 @@
   {
    "cell_type": "code",
    "execution_count": 17,
-   "id": "80e73773",
+   "id": "d2dabb2c",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:06.153034Z",
-     "iopub.status.busy": "2026-08-03T06:26:06.152953Z",
-     "iopub.status.idle": "2026-08-03T06:26:06.155279Z",
-     "shell.execute_reply": "2026-08-03T06:26:06.154918Z"
+     "iopub.execute_input": "2026-08-04T13:25:42.525879Z",
+     "iopub.status.busy": "2026-08-04T13:25:42.525713Z",
+     "iopub.status.idle": "2026-08-04T13:25:42.528047Z",
+     "shell.execute_reply": "2026-08-04T13:25:42.527651Z"
     }
    },
    "outputs": [
@@ -990,7 +996,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f0a0c553",
+   "id": "9c07892d",
    "metadata": {},
    "source": [
     "With real submissions that reads `squeue`, and falls back to `sacct` for jobs\n",
@@ -1019,13 +1025,13 @@
   {
    "cell_type": "code",
    "execution_count": 18,
-   "id": "e2a81ba7",
+   "id": "f4bdb495",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:06.156005Z",
-     "iopub.status.busy": "2026-08-03T06:26:06.155925Z",
-     "iopub.status.idle": "2026-08-03T06:26:06.158456Z",
-     "shell.execute_reply": "2026-08-03T06:26:06.158116Z"
+     "iopub.execute_input": "2026-08-04T13:25:42.528916Z",
+     "iopub.status.busy": "2026-08-04T13:25:42.528822Z",
+     "iopub.status.idle": "2026-08-04T13:25:42.531233Z",
+     "shell.execute_reply": "2026-08-04T13:25:42.530864Z"
     }
    },
    "outputs": [
@@ -1064,13 +1070,13 @@
   {
    "cell_type": "code",
    "execution_count": 19,
-   "id": "52e0b9d7",
+   "id": "27438606",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:06.159161Z",
-     "iopub.status.busy": "2026-08-03T06:26:06.159078Z",
-     "iopub.status.idle": "2026-08-03T06:26:06.723710Z",
-     "shell.execute_reply": "2026-08-03T06:26:06.723174Z"
+     "iopub.execute_input": "2026-08-04T13:25:42.532176Z",
+     "iopub.status.busy": "2026-08-04T13:25:42.532081Z",
+     "iopub.status.idle": "2026-08-04T13:25:43.054244Z",
+     "shell.execute_reply": "2026-08-04T13:25:43.053697Z"
     }
    },
    "outputs": [
@@ -1095,13 +1101,13 @@
   {
    "cell_type": "code",
    "execution_count": 20,
-   "id": "9138b6b0",
+   "id": "9fc47efe",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:06.724877Z",
-     "iopub.status.busy": "2026-08-03T06:26:06.724573Z",
-     "iopub.status.idle": "2026-08-03T06:26:06.727267Z",
-     "shell.execute_reply": "2026-08-03T06:26:06.726910Z"
+     "iopub.execute_input": "2026-08-04T13:25:43.055557Z",
+     "iopub.status.busy": "2026-08-04T13:25:43.055146Z",
+     "iopub.status.idle": "2026-08-04T13:25:43.058332Z",
+     "shell.execute_reply": "2026-08-04T13:25:43.057821Z"
     }
    },
    "outputs": [
@@ -1122,7 +1128,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e85afd37",
+   "id": "0f3d5694",
    "metadata": {},
    "source": [
     "INCAR, POSCAR, KPOINTS and a POTCAR *specification* — the last is a list of\n",
@@ -1135,20 +1141,20 @@
   {
    "cell_type": "code",
    "execution_count": 21,
-   "id": "e4303ba0",
+   "id": "4d9e3ec2",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:06.728099Z",
-     "iopub.status.busy": "2026-08-03T06:26:06.727954Z",
-     "iopub.status.idle": "2026-08-03T06:26:06.730574Z",
-     "shell.execute_reply": "2026-08-03T06:26:06.730251Z"
+     "iopub.execute_input": "2026-08-04T13:25:43.059339Z",
+     "iopub.status.busy": "2026-08-04T13:25:43.059208Z",
+     "iopub.status.idle": "2026-08-04T13:25:43.062567Z",
+     "shell.execute_reply": "2026-08-04T13:25:43.061990Z"
     }
    },
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "{'root': '/tmp/tmpd_3kyryk/runs',\n",
+       "{'root': '/tmp/tmpqv_ij707/runs',\n",
        " 'n_total': 2,\n",
        " 'n_finished': 0,\n",
        " 'n_missing': 2,\n",
@@ -1167,7 +1173,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a20ab651",
+   "id": "6e4f69c1",
    "metadata": {},
    "source": [
     "Nothing has run, so both are missing. Pretend one finished:"
@@ -1176,20 +1182,20 @@
   {
    "cell_type": "code",
    "execution_count": 22,
-   "id": "8079f205",
+   "id": "f4a074c9",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:06.731304Z",
-     "iopub.status.busy": "2026-08-03T06:26:06.731217Z",
-     "iopub.status.idle": "2026-08-03T06:26:06.733699Z",
-     "shell.execute_reply": "2026-08-03T06:26:06.733359Z"
+     "iopub.execute_input": "2026-08-04T13:25:43.063514Z",
+     "iopub.status.busy": "2026-08-04T13:25:43.063388Z",
+     "iopub.status.idle": "2026-08-04T13:25:43.066642Z",
+     "shell.execute_reply": "2026-08-04T13:25:43.066147Z"
     }
    },
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "{'root': '/tmp/tmpd_3kyryk/runs',\n",
+       "{'root': '/tmp/tmpqv_ij707/runs',\n",
        " 'n_total': 2,\n",
        " 'n_finished': 1,\n",
        " 'n_missing': 1,\n",
@@ -1209,7 +1215,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "d13e832f",
+   "id": "2cd37268",
    "metadata": {},
    "source": [
     "```{note}\n",
@@ -1227,13 +1233,13 @@
   {
    "cell_type": "code",
    "execution_count": 23,
-   "id": "7c33dba8",
+   "id": "68670302",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:06.734430Z",
-     "iopub.status.busy": "2026-08-03T06:26:06.734347Z",
-     "iopub.status.idle": "2026-08-03T06:26:06.741405Z",
-     "shell.execute_reply": "2026-08-03T06:26:06.741078Z"
+     "iopub.execute_input": "2026-08-04T13:25:43.067644Z",
+     "iopub.status.busy": "2026-08-04T13:25:43.067530Z",
+     "iopub.status.idle": "2026-08-04T13:25:43.076962Z",
+     "shell.execute_reply": "2026-08-04T13:25:43.076444Z"
     }
    },
    "outputs": [
@@ -1299,7 +1305,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "2c4943f1",
+   "id": "c15e0cd0",
    "metadata": {},
    "source": [
     "Both are NaN with a reason, because the `<modeling/>` above is not a real\n",
@@ -1314,13 +1320,13 @@
   {
    "cell_type": "code",
    "execution_count": 24,
-   "id": "7d2ff873",
+   "id": "102e03b2",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:06.742207Z",
-     "iopub.status.busy": "2026-08-03T06:26:06.742127Z",
-     "iopub.status.idle": "2026-08-03T06:26:06.745776Z",
-     "shell.execute_reply": "2026-08-03T06:26:06.745447Z"
+     "iopub.execute_input": "2026-08-04T13:25:43.078068Z",
+     "iopub.status.busy": "2026-08-04T13:25:43.077959Z",
+     "iopub.status.idle": "2026-08-04T13:25:43.082646Z",
+     "shell.execute_reply": "2026-08-04T13:25:43.082155Z"
     }
    },
    "outputs": [
@@ -1353,7 +1359,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "fc6ca81d",
+   "id": "736f9de5",
    "metadata": {},
    "source": [
     "`read_dos` fills the density of states onto the shared energy grid, and derives\n",
@@ -1374,13 +1380,13 @@
   {
    "cell_type": "code",
    "execution_count": 25,
-   "id": "d719050f",
+   "id": "7789cc50",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:06.746510Z",
-     "iopub.status.busy": "2026-08-03T06:26:06.746427Z",
-     "iopub.status.idle": "2026-08-03T06:26:06.748408Z",
-     "shell.execute_reply": "2026-08-03T06:26:06.748079Z"
+     "iopub.execute_input": "2026-08-04T13:25:43.083677Z",
+     "iopub.status.busy": "2026-08-04T13:25:43.083516Z",
+     "iopub.status.idle": "2026-08-04T13:25:43.086021Z",
+     "shell.execute_reply": "2026-08-04T13:25:43.085498Z"
     }
    },
    "outputs": [
@@ -1402,13 +1408,13 @@
   {
    "cell_type": "code",
    "execution_count": 26,
-   "id": "3d4b2b55",
+   "id": "7ffba28c",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:26:06.749165Z",
-     "iopub.status.busy": "2026-08-03T06:26:06.749033Z",
-     "iopub.status.idle": "2026-08-03T06:26:06.750967Z",
-     "shell.execute_reply": "2026-08-03T06:26:06.750629Z"
+     "iopub.execute_input": "2026-08-04T13:25:43.086999Z",
+     "iopub.status.busy": "2026-08-04T13:25:43.086865Z",
+     "iopub.status.idle": "2026-08-04T13:25:43.089377Z",
+     "shell.execute_reply": "2026-08-04T13:25:43.088834Z"
     }
    },
    "outputs": [
@@ -1429,7 +1435,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "5312aba6",
+   "id": "bbaaeeaf",
    "metadata": {},
    "source": [
     "```{seealso}\n",
diff --git a/matverse_guide/docs/tutorials/interfaces.ipynb b/matverse_guide/docs/tutorials/interfaces.ipynb
index d9dbe0c..9d29a16 100644
--- a/matverse_guide/docs/tutorials/interfaces.ipynb
+++ b/matverse_guide/docs/tutorials/interfaces.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "46fe6621",
+   "id": "e295bf19",
    "metadata": {},
    "source": [
     "# Interfaces\n",
@@ -28,13 +28,13 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "fae767f7",
+   "id": "d1fd4a8a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:37.212882Z",
-     "iopub.status.busy": "2026-08-03T06:24:37.212804Z",
-     "iopub.status.idle": "2026-08-03T06:24:40.334849Z",
-     "shell.execute_reply": "2026-08-03T06:24:40.334411Z"
+     "iopub.execute_input": "2026-08-04T13:23:42.222461Z",
+     "iopub.status.busy": "2026-08-04T13:23:42.222373Z",
+     "iopub.status.idle": "2026-08-04T13:23:48.199085Z",
+     "shell.execute_reply": "2026-08-04T13:23:48.198372Z"
     }
    },
    "outputs": [
@@ -42,20 +42,26 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "🔬 Starting plot initialization...\n",
-      "🧪 Calculators available: 6\n",
-      "    • emt — EMT (LGPL-2.1)\n",
-      "    • lj — Lennard-Jones (LGPL-2.1)\n",
-      "    • mace-mpa — mace-mpa (unstated)\n",
-      "    • mace-omat — mace-omat (unstated)\n",
-      "    • sevennet — sevennet (unstated)\n",
-      "    • chgnet — chgnet (unstated)\n"
+      "🔬 Starting plot initialization...\n"
      ]
     },
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
+      "🧪 Calculators available: 12\n",
+      "    • emt — EMT (LGPL-2.1)\n",
+      "    • lj — Lennard-Jones (LGPL-2.1)\n",
+      "    • mace-mpa — mace-mpa (unstated)\n",
+      "    • mace-omat — mace-omat (unstated)\n",
+      "    • sevennet — sevennet (unstated)\n",
+      "    • chgnet — chgnet (unstated)\n",
+      "    • m3gnet — M3GNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • m3gnet-r2scan — M3GNet-PES-MatPES-r2SCAN-2025.2 (BSD-3-Clause)\n",
+      "    • tensornet — TensorNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • orb — ORB v3 conservative (Apache-2.0)\n",
+      "    • gpaw-pbe — GPAW PBE, PW(500 eV) (GPL-3.0)\n",
+      "    • gpaw-pbe-fast — GPAW PBE, PW(400 eV) (GPL-3.0)\n",
       "🖥️ NVIDIA CUDA GPUs: 1\n",
       "    • [CUDA 0] NVIDIA H100 80GB HBM3 — 79.1 GB, compute 9.0\n",
       "\n",
@@ -65,7 +71,7 @@
       " / / / / / / /_/ / /_ | |/ /  __/ /  (__  )  __/\n",
       "/_/ /_/ /_/\\__,_/\\__/ |___/\\___/_/  /____/\\___/\n",
       "\n",
-      "🔖 Version: 0.1.71   🧮 Functions: 213   📚 Tutorials: https://matverse.readthedocs.io/\n",
+      "🔖 Version: 0.1.71   🧮 Functions: 214   📚 Tutorials: https://matverse.readthedocs.io/\n",
       "✅ set_style complete.\n",
       "\n"
      ]
@@ -81,7 +87,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "605914c8",
+   "id": "0957b673",
    "metadata": {},
    "source": [
     "## Loading a dataset\n",
@@ -94,13 +100,13 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "76cc3335",
+   "id": "d50b37f2",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:40.335982Z",
-     "iopub.status.busy": "2026-08-03T06:24:40.335743Z",
-     "iopub.status.idle": "2026-08-03T06:24:40.469564Z",
-     "shell.execute_reply": "2026-08-03T06:24:40.469186Z"
+     "iopub.execute_input": "2026-08-04T13:23:48.200474Z",
+     "iopub.status.busy": "2026-08-04T13:23:48.200111Z",
+     "iopub.status.idle": "2026-08-04T13:23:48.227901Z",
+     "shell.execute_reply": "2026-08-04T13:23:48.227411Z"
     }
    },
    "outputs": [
@@ -175,7 +181,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f8d972e5",
+   "id": "651859e8",
    "metadata": {},
    "source": [
     "## Will the lattices match?\n",
@@ -189,13 +195,13 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "d172c5fb",
+   "id": "ac747654",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:40.470656Z",
-     "iopub.status.busy": "2026-08-03T06:24:40.470507Z",
-     "iopub.status.idle": "2026-08-03T06:24:41.633934Z",
-     "shell.execute_reply": "2026-08-03T06:24:41.633531Z"
+     "iopub.execute_input": "2026-08-04T13:23:48.228959Z",
+     "iopub.status.busy": "2026-08-04T13:23:48.228827Z",
+     "iopub.status.idle": "2026-08-04T13:23:49.191201Z",
+     "shell.execute_reply": "2026-08-04T13:23:49.190817Z"
     }
    },
    "outputs": [
@@ -221,13 +227,13 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "780330e9",
+   "id": "e7381044",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:41.635237Z",
-     "iopub.status.busy": "2026-08-03T06:24:41.634909Z",
-     "iopub.status.idle": "2026-08-03T06:24:41.641472Z",
-     "shell.execute_reply": "2026-08-03T06:24:41.641109Z"
+     "iopub.execute_input": "2026-08-04T13:23:49.193317Z",
+     "iopub.status.busy": "2026-08-04T13:23:49.192598Z",
+     "iopub.status.idle": "2026-08-04T13:23:49.201408Z",
+     "shell.execute_reply": "2026-08-04T13:23:49.201129Z"
     }
    },
    "outputs": [
@@ -363,7 +369,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b2e84e22",
+   "id": "7836e24c",
    "metadata": {},
    "source": [
     "Six rows for three materials: the pairing is **ordered**, because copper grown\n",
@@ -382,20 +388,20 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "fe7cd253",
+   "id": "0d54949a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:41.642295Z",
-     "iopub.status.busy": "2026-08-03T06:24:41.642200Z",
-     "iopub.status.idle": "2026-08-03T06:24:41.761446Z",
-     "shell.execute_reply": "2026-08-03T06:24:41.761003Z"
+     "iopub.execute_input": "2026-08-04T13:23:49.202885Z",
+     "iopub.status.busy": "2026-08-04T13:23:49.202736Z",
+     "iopub.status.idle": "2026-08-04T13:23:49.344748Z",
+     "shell.execute_reply": "2026-08-04T13:23:49.344447Z"
     }
    },
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "<matplotlib.legend.Legend at 0x7f0e03408140>"
+       "<matplotlib.legend.Legend at 0x7f7e043677a0>"
       ]
      },
      "execution_count": 5,
@@ -435,7 +441,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "7cccd5ab",
+   "id": "b16a17bc",
    "metadata": {},
    "source": [
     "Tighten the threshold and the screen starts discriminating — which is the\n",
@@ -445,13 +451,13 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "7d81dbfe",
+   "id": "d7e86ab6",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:41.762318Z",
-     "iopub.status.busy": "2026-08-03T06:24:41.762224Z",
-     "iopub.status.idle": "2026-08-03T06:24:42.016368Z",
-     "shell.execute_reply": "2026-08-03T06:24:42.015909Z"
+     "iopub.execute_input": "2026-08-04T13:23:49.346713Z",
+     "iopub.status.busy": "2026-08-04T13:23:49.346264Z",
+     "iopub.status.idle": "2026-08-04T13:23:49.633030Z",
+     "shell.execute_reply": "2026-08-04T13:23:49.631982Z"
     }
    },
    "outputs": [
@@ -551,7 +557,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "219d0b84",
+   "id": "9841ce88",
    "metadata": {},
    "source": [
     "## What happens at the contact?\n",
@@ -567,13 +573,13 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "faa95c71",
+   "id": "97c19eca",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:42.017221Z",
-     "iopub.status.busy": "2026-08-03T06:24:42.017134Z",
-     "iopub.status.idle": "2026-08-03T06:24:42.412650Z",
-     "shell.execute_reply": "2026-08-03T06:24:42.412180Z"
+     "iopub.execute_input": "2026-08-04T13:23:49.634229Z",
+     "iopub.status.busy": "2026-08-04T13:23:49.634098Z",
+     "iopub.status.idle": "2026-08-04T13:23:49.923393Z",
+     "shell.execute_reply": "2026-08-04T13:23:49.922985Z"
     }
    },
    "outputs": [
@@ -674,7 +680,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "080110ed",
+   "id": "c3122913",
    "metadata": {},
    "source": [
     "All zero, and that is the correct answer for this dataset rather than a\n",
@@ -690,13 +696,13 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "05f4f5bf",
+   "id": "a37b21b9",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:42.414159Z",
-     "iopub.status.busy": "2026-08-03T06:24:42.414040Z",
-     "iopub.status.idle": "2026-08-03T06:24:42.430191Z",
-     "shell.execute_reply": "2026-08-03T06:24:42.429789Z"
+     "iopub.execute_input": "2026-08-04T13:23:49.924974Z",
+     "iopub.status.busy": "2026-08-04T13:23:49.924811Z",
+     "iopub.status.idle": "2026-08-04T13:23:49.943693Z",
+     "shell.execute_reply": "2026-08-04T13:23:49.942978Z"
     }
    },
    "outputs": [
@@ -780,13 +786,13 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "2030dd6c",
+   "id": "84ec49ed",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:42.431045Z",
-     "iopub.status.busy": "2026-08-03T06:24:42.430954Z",
-     "iopub.status.idle": "2026-08-03T06:24:42.676762Z",
-     "shell.execute_reply": "2026-08-03T06:24:42.676334Z"
+     "iopub.execute_input": "2026-08-04T13:23:49.945090Z",
+     "iopub.status.busy": "2026-08-04T13:23:49.944667Z",
+     "iopub.status.idle": "2026-08-04T13:23:50.203937Z",
+     "shell.execute_reply": "2026-08-04T13:23:50.203470Z"
     }
    },
    "outputs": [
@@ -896,7 +902,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "76421fda",
+   "id": "477eb629",
    "metadata": {},
    "source": [
     "**Ni + 3 Al → Al₃Ni at −0.45 eV/atom.** Put aluminium against nickel and it\n",
@@ -924,13 +930,13 @@
   {
    "cell_type": "code",
    "execution_count": 10,
-   "id": "f3729142",
+   "id": "e1f3f12a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:42.677621Z",
-     "iopub.status.busy": "2026-08-03T06:24:42.677533Z",
-     "iopub.status.idle": "2026-08-03T06:24:45.558568Z",
-     "shell.execute_reply": "2026-08-03T06:24:45.558125Z"
+     "iopub.execute_input": "2026-08-04T13:23:50.205317Z",
+     "iopub.status.busy": "2026-08-04T13:23:50.205175Z",
+     "iopub.status.idle": "2026-08-04T13:23:53.223462Z",
+     "shell.execute_reply": "2026-08-04T13:23:53.222949Z"
     }
    },
    "outputs": [
@@ -1000,13 +1006,13 @@
   {
    "cell_type": "code",
    "execution_count": 11,
-   "id": "94166a98",
+   "id": "bac1258a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:45.559542Z",
-     "iopub.status.busy": "2026-08-03T06:24:45.559444Z",
-     "iopub.status.idle": "2026-08-03T06:24:45.561855Z",
-     "shell.execute_reply": "2026-08-03T06:24:45.561512Z"
+     "iopub.execute_input": "2026-08-04T13:23:53.236662Z",
+     "iopub.status.busy": "2026-08-04T13:23:53.236540Z",
+     "iopub.status.idle": "2026-08-04T13:23:53.251752Z",
+     "shell.execute_reply": "2026-08-04T13:23:53.251323Z"
     }
    },
    "outputs": [
@@ -1033,7 +1039,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "4b325ac0",
+   "id": "666ea382",
    "metadata": {},
    "source": [
     "One cell per **termination**. Cutting the same orientation at a different plane\n",
@@ -1049,13 +1055,13 @@
   {
    "cell_type": "code",
    "execution_count": 12,
-   "id": "43758ff4",
+   "id": "ac4b8cbc",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:45.562561Z",
-     "iopub.status.busy": "2026-08-03T06:24:45.562481Z",
-     "iopub.status.idle": "2026-08-03T06:24:45.564783Z",
-     "shell.execute_reply": "2026-08-03T06:24:45.564445Z"
+     "iopub.execute_input": "2026-08-04T13:23:53.252718Z",
+     "iopub.status.busy": "2026-08-04T13:23:53.252621Z",
+     "iopub.status.idle": "2026-08-04T13:23:53.255158Z",
+     "shell.execute_reply": "2026-08-04T13:23:53.254799Z"
     }
    },
    "outputs": [
@@ -1077,13 +1083,13 @@
   {
    "cell_type": "code",
    "execution_count": 13,
-   "id": "39724302",
+   "id": "1a1357fa",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:45.565487Z",
-     "iopub.status.busy": "2026-08-03T06:24:45.565407Z",
-     "iopub.status.idle": "2026-08-03T06:24:45.668596Z",
-     "shell.execute_reply": "2026-08-03T06:24:45.668187Z"
+     "iopub.execute_input": "2026-08-04T13:23:53.256120Z",
+     "iopub.status.busy": "2026-08-04T13:23:53.256023Z",
+     "iopub.status.idle": "2026-08-04T13:23:54.488985Z",
+     "shell.execute_reply": "2026-08-04T13:23:54.488529Z"
     }
    },
    "outputs": [
@@ -1143,7 +1149,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "d0f8fe25",
+   "id": "1965edb9",
    "metadata": {},
    "source": [
     "```{note}\n",
@@ -1163,13 +1169,13 @@
   {
    "cell_type": "code",
    "execution_count": 14,
-   "id": "2d4392c2",
+   "id": "0ee7eb60",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:45.669586Z",
-     "iopub.status.busy": "2026-08-03T06:24:45.669412Z",
-     "iopub.status.idle": "2026-08-03T06:24:45.675360Z",
-     "shell.execute_reply": "2026-08-03T06:24:45.674956Z"
+     "iopub.execute_input": "2026-08-04T13:23:54.490408Z",
+     "iopub.status.busy": "2026-08-04T13:23:54.490308Z",
+     "iopub.status.idle": "2026-08-04T13:23:54.504181Z",
+     "shell.execute_reply": "2026-08-04T13:23:54.503701Z"
     }
    },
    "outputs": [
@@ -1279,7 +1285,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "9f8b45ee",
+   "id": "79f822f2",
    "metadata": {},
    "source": [
     "A pairing is usable when the lattices fit *and* the contact is inert. Neither\n",
@@ -1291,13 +1297,13 @@
   {
    "cell_type": "code",
    "execution_count": 15,
-   "id": "305880b5",
+   "id": "ca72f80d",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:45.676270Z",
-     "iopub.status.busy": "2026-08-03T06:24:45.676180Z",
-     "iopub.status.idle": "2026-08-03T06:24:45.678136Z",
-     "shell.execute_reply": "2026-08-03T06:24:45.677791Z"
+     "iopub.execute_input": "2026-08-04T13:23:54.505472Z",
+     "iopub.status.busy": "2026-08-04T13:23:54.505368Z",
+     "iopub.status.idle": "2026-08-04T13:23:54.508024Z",
+     "shell.execute_reply": "2026-08-04T13:23:54.507391Z"
     }
    },
    "outputs": [
@@ -1318,7 +1324,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "5cedf7af",
+   "id": "cf7936ff",
    "metadata": {},
    "source": [
     "```{seealso}\n",
diff --git a/matverse_guide/docs/tutorials/magnetic_ordering.ipynb b/matverse_guide/docs/tutorials/magnetic_ordering.ipynb
index 88d24b4..72526d5 100644
--- a/matverse_guide/docs/tutorials/magnetic_ordering.ipynb
+++ b/matverse_guide/docs/tutorials/magnetic_ordering.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "6ec51b38",
+   "id": "d1c618da",
    "metadata": {},
    "source": [
     "# Magnetic ordering\n",
@@ -24,13 +24,13 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "6a1729fa",
+   "id": "6f4e750e",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:21.029203Z",
-     "iopub.status.busy": "2026-08-03T06:24:21.029116Z",
-     "iopub.status.idle": "2026-08-03T06:24:24.153560Z",
-     "shell.execute_reply": "2026-08-03T06:24:24.153056Z"
+     "iopub.execute_input": "2026-08-04T13:23:17.504756Z",
+     "iopub.status.busy": "2026-08-04T13:23:17.504657Z",
+     "iopub.status.idle": "2026-08-04T13:23:23.447858Z",
+     "shell.execute_reply": "2026-08-04T13:23:23.447263Z"
     }
    },
    "outputs": [
@@ -38,20 +38,26 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "🔬 Starting plot initialization...\n",
-      "🧪 Calculators available: 6\n",
-      "    • emt — EMT (LGPL-2.1)\n",
-      "    • lj — Lennard-Jones (LGPL-2.1)\n",
-      "    • mace-mpa — mace-mpa (unstated)\n",
-      "    • mace-omat — mace-omat (unstated)\n",
-      "    • sevennet — sevennet (unstated)\n",
-      "    • chgnet — chgnet (unstated)\n"
+      "🔬 Starting plot initialization...\n"
      ]
     },
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
+      "🧪 Calculators available: 12\n",
+      "    • emt — EMT (LGPL-2.1)\n",
+      "    • lj — Lennard-Jones (LGPL-2.1)\n",
+      "    • mace-mpa — mace-mpa (unstated)\n",
+      "    • mace-omat — mace-omat (unstated)\n",
+      "    • sevennet — sevennet (unstated)\n",
+      "    • chgnet — chgnet (unstated)\n",
+      "    • m3gnet — M3GNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • m3gnet-r2scan — M3GNet-PES-MatPES-r2SCAN-2025.2 (BSD-3-Clause)\n",
+      "    • tensornet — TensorNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • orb — ORB v3 conservative (Apache-2.0)\n",
+      "    • gpaw-pbe — GPAW PBE, PW(500 eV) (GPL-3.0)\n",
+      "    • gpaw-pbe-fast — GPAW PBE, PW(400 eV) (GPL-3.0)\n",
       "🖥️ NVIDIA CUDA GPUs: 1\n",
       "    • [CUDA 0] NVIDIA H100 80GB HBM3 — 79.1 GB, compute 9.0\n",
       "\n",
@@ -61,7 +67,7 @@
       " / / / / / / /_/ / /_ | |/ /  __/ /  (__  )  __/\n",
       "/_/ /_/ /_/\\__,_/\\__/ |___/\\___/_/  /____/\\___/\n",
       "\n",
-      "🔖 Version: 0.1.71   🧮 Functions: 213   📚 Tutorials: https://matverse.readthedocs.io/\n",
+      "🔖 Version: 0.1.71   🧮 Functions: 214   📚 Tutorials: https://matverse.readthedocs.io/\n",
       "✅ set_style complete.\n",
       "\n"
      ]
@@ -77,7 +83,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "ad4658c5",
+   "id": "62e65931",
    "metadata": {},
    "source": [
     "## Loading a dataset\n",
@@ -89,13 +95,13 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "4f687625",
+   "id": "3dc94141",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:24.154738Z",
-     "iopub.status.busy": "2026-08-03T06:24:24.154415Z",
-     "iopub.status.idle": "2026-08-03T06:24:24.282198Z",
-     "shell.execute_reply": "2026-08-03T06:24:24.281742Z"
+     "iopub.execute_input": "2026-08-04T13:23:23.449367Z",
+     "iopub.status.busy": "2026-08-04T13:23:23.449011Z",
+     "iopub.status.idle": "2026-08-04T13:23:23.547698Z",
+     "shell.execute_reply": "2026-08-04T13:23:23.547128Z"
     }
    },
    "outputs": [
@@ -183,7 +189,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "5ba1c9c4",
+   "id": "d5dc0300",
    "metadata": {},
    "source": [
     "## Which elements can even carry a moment"
@@ -192,13 +198,13 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "6107a53a",
+   "id": "009a8ddb",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:24.283136Z",
-     "iopub.status.busy": "2026-08-03T06:24:24.282978Z",
-     "iopub.status.idle": "2026-08-03T06:24:25.246500Z",
-     "shell.execute_reply": "2026-08-03T06:24:25.245901Z"
+     "iopub.execute_input": "2026-08-04T13:23:23.548921Z",
+     "iopub.status.busy": "2026-08-04T13:23:23.548785Z",
+     "iopub.status.idle": "2026-08-04T13:23:24.288026Z",
+     "shell.execute_reply": "2026-08-04T13:23:24.287320Z"
     }
    },
    "outputs": [
@@ -280,7 +286,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "9105440e",
+   "id": "7d9d5fe4",
    "metadata": {},
    "source": [
     "Read those two columns carefully, because they answer different questions.\n",
@@ -302,13 +308,13 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "43034535",
+   "id": "a84de43f",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:25.247457Z",
-     "iopub.status.busy": "2026-08-03T06:24:25.247361Z",
-     "iopub.status.idle": "2026-08-03T06:24:25.249729Z",
-     "shell.execute_reply": "2026-08-03T06:24:25.249366Z"
+     "iopub.execute_input": "2026-08-04T13:23:24.289453Z",
+     "iopub.status.busy": "2026-08-04T13:23:24.289001Z",
+     "iopub.status.idle": "2026-08-04T13:23:24.293175Z",
+     "shell.execute_reply": "2026-08-04T13:23:24.292447Z"
     }
    },
    "outputs": [
@@ -348,7 +354,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "9becfd3a",
+   "id": "1bc6f6f1",
    "metadata": {},
    "source": [
     "## Enumerating orderings\n",
@@ -361,13 +367,13 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "a6e271f2",
+   "id": "c7851de4",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:25.250457Z",
-     "iopub.status.busy": "2026-08-03T06:24:25.250375Z",
-     "iopub.status.idle": "2026-08-03T06:24:25.468692Z",
-     "shell.execute_reply": "2026-08-03T06:24:25.468259Z"
+     "iopub.execute_input": "2026-08-04T13:23:24.294536Z",
+     "iopub.status.busy": "2026-08-04T13:23:24.294403Z",
+     "iopub.status.idle": "2026-08-04T13:23:24.506830Z",
+     "shell.execute_reply": "2026-08-04T13:23:24.506357Z"
     }
    },
    "outputs": [
@@ -395,13 +401,13 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "b8280f1d",
+   "id": "c86fb636",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:25.469727Z",
-     "iopub.status.busy": "2026-08-03T06:24:25.469477Z",
-     "iopub.status.idle": "2026-08-03T06:24:25.481591Z",
-     "shell.execute_reply": "2026-08-03T06:24:25.481119Z"
+     "iopub.execute_input": "2026-08-04T13:23:24.508119Z",
+     "iopub.status.busy": "2026-08-04T13:23:24.507982Z",
+     "iopub.status.idle": "2026-08-04T13:23:24.521965Z",
+     "shell.execute_reply": "2026-08-04T13:23:24.521420Z"
     }
    },
    "outputs": [
@@ -536,7 +542,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "765a46c4",
+   "id": "039cf8f5",
    "metadata": {},
    "source": [
     "Three things worth reading in that table.\n",
@@ -557,13 +563,13 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "88e72603",
+   "id": "8d6dbdd7",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:25.482499Z",
-     "iopub.status.busy": "2026-08-03T06:24:25.482336Z",
-     "iopub.status.idle": "2026-08-03T06:24:25.484781Z",
-     "shell.execute_reply": "2026-08-03T06:24:25.484420Z"
+     "iopub.execute_input": "2026-08-04T13:23:24.524110Z",
+     "iopub.status.busy": "2026-08-04T13:23:24.523958Z",
+     "iopub.status.idle": "2026-08-04T13:23:24.528738Z",
+     "shell.execute_reply": "2026-08-04T13:23:24.528264Z"
     }
    },
    "outputs": [
@@ -584,7 +590,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "2d78b4dd",
+   "id": "f56fe7db",
    "metadata": {},
    "source": [
     "```{note}\n",
@@ -601,13 +607,13 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "918a1f87",
+   "id": "88bed0b7",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:25.485546Z",
-     "iopub.status.busy": "2026-08-03T06:24:25.485456Z",
-     "iopub.status.idle": "2026-08-03T06:24:25.487627Z",
-     "shell.execute_reply": "2026-08-03T06:24:25.487291Z"
+     "iopub.execute_input": "2026-08-04T13:23:24.529906Z",
+     "iopub.status.busy": "2026-08-04T13:23:24.529770Z",
+     "iopub.status.idle": "2026-08-04T13:23:24.533250Z",
+     "shell.execute_reply": "2026-08-04T13:23:24.532803Z"
     }
    },
    "outputs": [
@@ -629,7 +635,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "ea399d98",
+   "id": "46aed8d7",
    "metadata": {},
    "source": [
     "## Picking the ground state\n",
@@ -641,13 +647,13 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "022da315",
+   "id": "33332517",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:25.488358Z",
-     "iopub.status.busy": "2026-08-03T06:24:25.488272Z",
-     "iopub.status.idle": "2026-08-03T06:24:25.506930Z",
-     "shell.execute_reply": "2026-08-03T06:24:25.506544Z"
+     "iopub.execute_input": "2026-08-04T13:23:24.534408Z",
+     "iopub.status.busy": "2026-08-04T13:23:24.534273Z",
+     "iopub.status.idle": "2026-08-04T13:23:24.556945Z",
+     "shell.execute_reply": "2026-08-04T13:23:24.556483Z"
     }
    },
    "outputs": [
@@ -726,7 +732,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "726ae5e4",
+   "id": "7d2c439f",
    "metadata": {},
    "source": [
     "## The spread is zero, and that is the answer\n",
@@ -746,13 +752,13 @@
   {
    "cell_type": "code",
    "execution_count": 10,
-   "id": "dc63d320",
+   "id": "c33df6ab",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:25.507702Z",
-     "iopub.status.busy": "2026-08-03T06:24:25.507612Z",
-     "iopub.status.idle": "2026-08-03T06:24:25.509757Z",
-     "shell.execute_reply": "2026-08-03T06:24:25.509443Z"
+     "iopub.execute_input": "2026-08-04T13:23:24.559024Z",
+     "iopub.status.busy": "2026-08-04T13:23:24.558257Z",
+     "iopub.status.idle": "2026-08-04T13:23:24.562581Z",
+     "shell.execute_reply": "2026-08-04T13:23:24.561859Z"
     }
    },
    "outputs": [
@@ -776,7 +782,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "0327725a",
+   "id": "9ca700c4",
    "metadata": {},
    "source": [
     "```{warning}\n",
@@ -819,13 +825,13 @@
   {
    "cell_type": "code",
    "execution_count": 11,
-   "id": "80582190",
+   "id": "4c41d2d3",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:25.510427Z",
-     "iopub.status.busy": "2026-08-03T06:24:25.510344Z",
-     "iopub.status.idle": "2026-08-03T06:24:25.512425Z",
-     "shell.execute_reply": "2026-08-03T06:24:25.512107Z"
+     "iopub.execute_input": "2026-08-04T13:23:24.563591Z",
+     "iopub.status.busy": "2026-08-04T13:23:24.563462Z",
+     "iopub.status.idle": "2026-08-04T13:23:24.566886Z",
+     "shell.execute_reply": "2026-08-04T13:23:24.566463Z"
     }
    },
    "outputs": [
@@ -846,7 +852,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "bcb069ad",
+   "id": "cf1e144b",
    "metadata": {},
    "source": [
     "That is deliberate. `mv.thermo.hull` needs no special case for magnetism: it\n",
@@ -867,7 +873,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "fb8e2d5a",
+   "id": "1f6237d1",
    "metadata": {},
    "source": [
     "## The other thing a d shell does\n",
@@ -884,13 +890,13 @@
   {
    "cell_type": "code",
    "execution_count": 12,
-   "id": "e1fa03b8",
+   "id": "1f12e834",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:25.513122Z",
-     "iopub.status.busy": "2026-08-03T06:24:25.513040Z",
-     "iopub.status.idle": "2026-08-03T06:24:25.736094Z",
-     "shell.execute_reply": "2026-08-03T06:24:25.735693Z"
+     "iopub.execute_input": "2026-08-04T13:23:24.568639Z",
+     "iopub.status.busy": "2026-08-04T13:23:24.568503Z",
+     "iopub.status.idle": "2026-08-04T13:23:24.803296Z",
+     "shell.execute_reply": "2026-08-04T13:23:24.802872Z"
     }
    },
    "outputs": [
@@ -979,7 +985,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "cbeac27b",
+   "id": "39e005b9",
    "metadata": {},
    "source": [
     "Mn³⁺ and Ni³⁺ come out **strong** and Ti⁴⁺ inactive, which is the textbook\n",
@@ -1003,7 +1009,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "7fd1efe8",
+   "id": "5246fc20",
    "metadata": {},
    "source": [
     "## How far above room temperature does it stay a magnet?\n",
@@ -1019,13 +1025,13 @@
   {
    "cell_type": "code",
    "execution_count": 13,
-   "id": "1d921f85",
+   "id": "d6cd42a8",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:25.736986Z",
-     "iopub.status.busy": "2026-08-03T06:24:25.736890Z",
-     "iopub.status.idle": "2026-08-03T06:24:25.759713Z",
-     "shell.execute_reply": "2026-08-03T06:24:25.759253Z"
+     "iopub.execute_input": "2026-08-04T13:23:24.804936Z",
+     "iopub.status.busy": "2026-08-04T13:23:24.804796Z",
+     "iopub.status.idle": "2026-08-04T13:23:24.830868Z",
+     "shell.execute_reply": "2026-08-04T13:23:24.830384Z"
     }
    },
    "outputs": [
@@ -1104,7 +1110,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "1977a464",
+   "id": "326b66e6",
    "metadata": {},
    "source": [
     "The ferromagnetic arrangement is lower, so the coupling is positive and the\n",
@@ -1126,7 +1132,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "276eb48d",
+   "id": "0b745d06",
    "metadata": {},
    "source": [
     "### When the fit has nothing to fit\n",
@@ -1140,13 +1146,13 @@
   {
    "cell_type": "code",
    "execution_count": 14,
-   "id": "a99d94e4",
+   "id": "73cbab3a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:25.760663Z",
-     "iopub.status.busy": "2026-08-03T06:24:25.760505Z",
-     "iopub.status.idle": "2026-08-03T06:24:25.765466Z",
-     "shell.execute_reply": "2026-08-03T06:24:25.765093Z"
+     "iopub.execute_input": "2026-08-04T13:23:24.832276Z",
+     "iopub.status.busy": "2026-08-04T13:23:24.832133Z",
+     "iopub.status.idle": "2026-08-04T13:23:24.839438Z",
+     "shell.execute_reply": "2026-08-04T13:23:24.838702Z"
     }
    },
    "outputs": [
@@ -1184,7 +1190,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "45d49892",
+   "id": "3a4bf70a",
    "metadata": {},
    "source": [
     "A NaN and a stated reason, rather than a number near zero that would read as\n",
@@ -1193,7 +1199,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "dcece87e",
+   "id": "d49f4b86",
    "metadata": {},
    "source": [
     "## What the moments cost in symmetry\n",
@@ -1212,13 +1218,13 @@
   {
    "cell_type": "code",
    "execution_count": 15,
-   "id": "07e75818",
+   "id": "6b2e38c4",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:25.766209Z",
-     "iopub.status.busy": "2026-08-03T06:24:25.766126Z",
-     "iopub.status.idle": "2026-08-03T06:24:25.867268Z",
-     "shell.execute_reply": "2026-08-03T06:24:25.866863Z"
+     "iopub.execute_input": "2026-08-04T13:23:24.840767Z",
+     "iopub.status.busy": "2026-08-04T13:23:24.840628Z",
+     "iopub.status.idle": "2026-08-04T13:23:24.947472Z",
+     "shell.execute_reply": "2026-08-04T13:23:24.946981Z"
     }
    },
    "outputs": [
@@ -1308,7 +1314,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "9eae2483",
+   "id": "90adbf99",
    "metadata": {},
    "source": [
     "bcc iron has **96** operations. With no moments all 96 survive. With any\n",
diff --git a/matverse_guide/docs/tutorials/models_and_campaigns.ipynb b/matverse_guide/docs/tutorials/models_and_campaigns.ipynb
index 30d9ea3..d4875de 100644
--- a/matverse_guide/docs/tutorials/models_and_campaigns.ipynb
+++ b/matverse_guide/docs/tutorials/models_and_campaigns.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "5bc70515",
+   "id": "8d0adf18",
    "metadata": {},
    "source": [
     "# Models and campaigns\n",
@@ -19,13 +19,13 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "a56e2ef0",
+   "id": "99fff3ca",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:47.950943Z",
-     "iopub.status.busy": "2026-08-03T06:21:47.950866Z",
-     "iopub.status.idle": "2026-08-03T06:21:50.919617Z",
-     "shell.execute_reply": "2026-08-03T06:21:50.919094Z"
+     "iopub.execute_input": "2026-08-04T13:20:10.184592Z",
+     "iopub.status.busy": "2026-08-04T13:20:10.184497Z",
+     "iopub.status.idle": "2026-08-04T13:20:20.204348Z",
+     "shell.execute_reply": "2026-08-04T13:20:20.203865Z"
     }
    },
    "outputs": [
@@ -33,20 +33,26 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "🔬 Starting plot initialization...\n",
-      "🧪 Calculators available: 6\n",
-      "    • emt — EMT (LGPL-2.1)\n",
-      "    • lj — Lennard-Jones (LGPL-2.1)\n",
-      "    • mace-mpa — mace-mpa (unstated)\n",
-      "    • mace-omat — mace-omat (unstated)\n",
-      "    • sevennet — sevennet (unstated)\n",
-      "    • chgnet — chgnet (unstated)\n"
+      "🔬 Starting plot initialization...\n"
      ]
     },
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
+      "🧪 Calculators available: 12\n",
+      "    • emt — EMT (LGPL-2.1)\n",
+      "    • lj — Lennard-Jones (LGPL-2.1)\n",
+      "    • mace-mpa — mace-mpa (unstated)\n",
+      "    • mace-omat — mace-omat (unstated)\n",
+      "    • sevennet — sevennet (unstated)\n",
+      "    • chgnet — chgnet (unstated)\n",
+      "    • m3gnet — M3GNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • m3gnet-r2scan — M3GNet-PES-MatPES-r2SCAN-2025.2 (BSD-3-Clause)\n",
+      "    • tensornet — TensorNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • orb — ORB v3 conservative (Apache-2.0)\n",
+      "    • gpaw-pbe — GPAW PBE, PW(500 eV) (GPL-3.0)\n",
+      "    • gpaw-pbe-fast — GPAW PBE, PW(400 eV) (GPL-3.0)\n",
       "🖥️ NVIDIA CUDA GPUs: 1\n",
       "    • [CUDA 0] NVIDIA H100 80GB HBM3 — 79.1 GB, compute 9.0\n",
       "\n",
@@ -56,7 +62,7 @@
       " / / / / / / /_/ / /_ | |/ /  __/ /  (__  )  __/\n",
       "/_/ /_/ /_/\\__,_/\\__/ |___/\\___/_/  /____/\\___/\n",
       "\n",
-      "🔖 Version: 0.1.71   🧮 Functions: 213   📚 Tutorials: https://matverse.readthedocs.io/\n",
+      "🔖 Version: 0.1.71   🧮 Functions: 214   📚 Tutorials: https://matverse.readthedocs.io/\n",
       "✅ set_style complete.\n",
       "\n"
      ]
@@ -72,7 +78,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "14a02925",
+   "id": "7de4c948",
    "metadata": {},
    "source": [
     "## Loading a dataset\n",
@@ -85,13 +91,13 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "692a79cf",
+   "id": "b217efe0",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:50.920794Z",
-     "iopub.status.busy": "2026-08-03T06:21:50.920547Z",
-     "iopub.status.idle": "2026-08-03T06:21:50.974667Z",
-     "shell.execute_reply": "2026-08-03T06:21:50.974253Z"
+     "iopub.execute_input": "2026-08-04T13:20:20.206169Z",
+     "iopub.status.busy": "2026-08-04T13:20:20.205825Z",
+     "iopub.status.idle": "2026-08-04T13:20:20.230341Z",
+     "shell.execute_reply": "2026-08-04T13:20:20.229606Z"
     }
    },
    "outputs": [
@@ -128,7 +134,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "318e6a53",
+   "id": "fd85994f",
    "metadata": {},
    "source": [
     "Each binary sits at the mean of its two elemental lattice parameters — a crude\n",
@@ -139,13 +145,13 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "8f4a9c88",
+   "id": "e7f15759",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:50.975626Z",
-     "iopub.status.busy": "2026-08-03T06:21:50.975421Z",
-     "iopub.status.idle": "2026-08-03T06:21:51.142429Z",
-     "shell.execute_reply": "2026-08-03T06:21:51.141890Z"
+     "iopub.execute_input": "2026-08-04T13:20:20.231502Z",
+     "iopub.status.busy": "2026-08-04T13:20:20.231383Z",
+     "iopub.status.idle": "2026-08-04T13:20:20.331675Z",
+     "shell.execute_reply": "2026-08-04T13:20:20.329850Z"
     }
    },
    "outputs": [
@@ -269,7 +275,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "50ca4d7c",
+   "id": "883c4f37",
    "metadata": {},
    "source": [
     "## The split is the part to care about\n",
@@ -282,13 +288,13 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "7351da00",
+   "id": "6a02e416",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:51.143355Z",
-     "iopub.status.busy": "2026-08-03T06:21:51.143234Z",
-     "iopub.status.idle": "2026-08-03T06:21:51.147007Z",
-     "shell.execute_reply": "2026-08-03T06:21:51.146608Z"
+     "iopub.execute_input": "2026-08-04T13:20:20.332774Z",
+     "iopub.status.busy": "2026-08-04T13:20:20.332657Z",
+     "iopub.status.idle": "2026-08-04T13:20:20.338460Z",
+     "shell.execute_reply": "2026-08-04T13:20:20.337832Z"
     }
    },
    "outputs": [
@@ -316,7 +322,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e3f808c0",
+   "id": "f6c3285e",
    "metadata": {},
    "source": [
     "`mv.model.split` defaults to grouping by **composition**, and the default is the\n",
@@ -338,13 +344,13 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "874e7ad6",
+   "id": "b5a90541",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:51.147834Z",
-     "iopub.status.busy": "2026-08-03T06:21:51.147734Z",
-     "iopub.status.idle": "2026-08-03T06:21:51.150741Z",
-     "shell.execute_reply": "2026-08-03T06:21:51.150403Z"
+     "iopub.execute_input": "2026-08-04T13:20:20.339420Z",
+     "iopub.status.busy": "2026-08-04T13:20:20.339316Z",
+     "iopub.status.idle": "2026-08-04T13:20:20.343420Z",
+     "shell.execute_reply": "2026-08-04T13:20:20.342821Z"
     }
    },
    "outputs": [
@@ -366,7 +372,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "ee379c26",
+   "id": "af65671e",
    "metadata": {},
    "source": [
     "The element holdout is the hardest honest split and the one a discovery campaign\n",
@@ -385,13 +391,13 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "d3650367",
+   "id": "cb4a6927",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:51.151549Z",
-     "iopub.status.busy": "2026-08-03T06:21:51.151459Z",
-     "iopub.status.idle": "2026-08-03T06:21:51.591890Z",
-     "shell.execute_reply": "2026-08-03T06:21:51.591414Z"
+     "iopub.execute_input": "2026-08-04T13:20:20.344430Z",
+     "iopub.status.busy": "2026-08-04T13:20:20.344319Z",
+     "iopub.status.idle": "2026-08-04T13:20:21.612833Z",
+     "shell.execute_reply": "2026-08-04T13:20:21.612491Z"
     }
    },
    "outputs": [
@@ -418,7 +424,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a6f92b79",
+   "id": "6f25d495",
    "metadata": {},
    "source": [
     "The prediction is a **level of theory**, not a special kind of column."
@@ -427,13 +433,13 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "2521855d",
+   "id": "a4154b17",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:51.592978Z",
-     "iopub.status.busy": "2026-08-03T06:21:51.592710Z",
-     "iopub.status.idle": "2026-08-03T06:21:51.595253Z",
-     "shell.execute_reply": "2026-08-03T06:21:51.594896Z"
+     "iopub.execute_input": "2026-08-04T13:20:21.616325Z",
+     "iopub.status.busy": "2026-08-04T13:20:21.615986Z",
+     "iopub.status.idle": "2026-08-04T13:20:21.619480Z",
+     "shell.execute_reply": "2026-08-04T13:20:21.619221Z"
     }
    },
    "outputs": [
@@ -465,7 +471,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "12c74c76",
+   "id": "5ba107a2",
    "metadata": {},
    "source": [
     "That matters for the same reason it does everywhere else in matverse: a\n",
@@ -481,13 +487,13 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "3c27a034",
+   "id": "1395b418",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:51.595976Z",
-     "iopub.status.busy": "2026-08-03T06:21:51.595898Z",
-     "iopub.status.idle": "2026-08-03T06:21:51.601594Z",
-     "shell.execute_reply": "2026-08-03T06:21:51.601189Z"
+     "iopub.execute_input": "2026-08-04T13:20:21.620790Z",
+     "iopub.status.busy": "2026-08-04T13:20:21.620691Z",
+     "iopub.status.idle": "2026-08-04T13:20:21.626777Z",
+     "shell.execute_reply": "2026-08-04T13:20:21.626379Z"
     }
    },
    "outputs": [
@@ -613,7 +619,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "46a08c83",
+   "id": "f7962288",
    "metadata": {},
    "source": [
     "It is honestly labelled **uncalibrated**. It is useful for deciding what to\n",
@@ -623,13 +629,13 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "4a4ec348",
+   "id": "12c4e23f",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:51.602523Z",
-     "iopub.status.busy": "2026-08-03T06:21:51.602438Z",
-     "iopub.status.idle": "2026-08-03T06:21:51.604612Z",
-     "shell.execute_reply": "2026-08-03T06:21:51.604235Z"
+     "iopub.execute_input": "2026-08-04T13:20:21.628041Z",
+     "iopub.status.busy": "2026-08-04T13:20:21.627881Z",
+     "iopub.status.idle": "2026-08-04T13:20:21.630300Z",
+     "shell.execute_reply": "2026-08-04T13:20:21.629874Z"
     }
    },
    "outputs": [
@@ -653,7 +659,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "c2cde0fd",
+   "id": "aed7f5fc",
    "metadata": {},
    "source": [
     "Only scikit-learn is wired. Graph networks and fine-tuned interatomic potentials\n",
@@ -664,13 +670,13 @@
   {
    "cell_type": "code",
    "execution_count": 10,
-   "id": "691ae0b1",
+   "id": "4392b0f6",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:51.605565Z",
-     "iopub.status.busy": "2026-08-03T06:21:51.605447Z",
-     "iopub.status.idle": "2026-08-03T06:21:51.670522Z",
-     "shell.execute_reply": "2026-08-03T06:21:51.670103Z"
+     "iopub.execute_input": "2026-08-04T13:20:21.631324Z",
+     "iopub.status.busy": "2026-08-04T13:20:21.631165Z",
+     "iopub.status.idle": "2026-08-04T13:20:21.857733Z",
+     "shell.execute_reply": "2026-08-04T13:20:21.856958Z"
     }
    },
    "outputs": [
@@ -678,9 +684,9 @@
      "data": {
       "text/plain": [
        "{'n': 6,\n",
-       " 'mae': 0.017428107971845627,\n",
-       " 'rmse': 0.023415460259419575,\n",
-       " 'r2': 0.8880648615994451}"
+       " 'mae': 0.01739907188476024,\n",
+       " 'rmse': 0.024090368763733147,\n",
+       " 'r2': 0.8815192106145648}"
       ]
      },
      "execution_count": 10,
@@ -699,7 +705,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "fe93805b",
+   "id": "1d153c2c",
    "metadata": {},
    "source": [
     "### Uncertainty from a committee instead\n",
@@ -713,13 +719,13 @@
   {
    "cell_type": "code",
    "execution_count": 11,
-   "id": "ed273afd",
+   "id": "0ccdbf07",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:51.671366Z",
-     "iopub.status.busy": "2026-08-03T06:21:51.671276Z",
-     "iopub.status.idle": "2026-08-03T06:21:51.677251Z",
-     "shell.execute_reply": "2026-08-03T06:21:51.676783Z"
+     "iopub.execute_input": "2026-08-04T13:20:21.858902Z",
+     "iopub.status.busy": "2026-08-04T13:20:21.858799Z",
+     "iopub.status.idle": "2026-08-04T13:20:21.870103Z",
+     "shell.execute_reply": "2026-08-04T13:20:21.869069Z"
     }
    },
    "outputs": [
@@ -818,7 +824,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "fdc7dbf3",
+   "id": "79f403f6",
    "metadata": {},
    "source": [
     "The two members here differ by a constant, so the spread is the same everywhere\n",
@@ -834,13 +840,13 @@
   {
    "cell_type": "code",
    "execution_count": 12,
-   "id": "198bd84e",
+   "id": "f31d59f7",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:51.678067Z",
-     "iopub.status.busy": "2026-08-03T06:21:51.677959Z",
-     "iopub.status.idle": "2026-08-03T06:21:53.254509Z",
-     "shell.execute_reply": "2026-08-03T06:21:53.254033Z"
+     "iopub.execute_input": "2026-08-04T13:20:21.871448Z",
+     "iopub.status.busy": "2026-08-04T13:20:21.871029Z",
+     "iopub.status.idle": "2026-08-04T13:20:25.218901Z",
+     "shell.execute_reply": "2026-08-04T13:20:25.218480Z"
     }
    },
    "outputs": [
@@ -913,13 +919,13 @@
   {
    "cell_type": "code",
    "execution_count": 13,
-   "id": "af0003db",
+   "id": "e4bc84d5",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:53.255412Z",
-     "iopub.status.busy": "2026-08-03T06:21:53.255319Z",
-     "iopub.status.idle": "2026-08-03T06:21:53.354419Z",
-     "shell.execute_reply": "2026-08-03T06:21:53.353939Z"
+     "iopub.execute_input": "2026-08-04T13:20:25.219930Z",
+     "iopub.status.busy": "2026-08-04T13:20:25.219833Z",
+     "iopub.status.idle": "2026-08-04T13:20:25.429852Z",
+     "shell.execute_reply": "2026-08-04T13:20:25.429410Z"
     }
    },
    "outputs": [
@@ -966,13 +972,13 @@
   {
    "cell_type": "code",
    "execution_count": 14,
-   "id": "0cf54c76",
+   "id": "f3a29b83",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:53.355364Z",
-     "iopub.status.busy": "2026-08-03T06:21:53.355267Z",
-     "iopub.status.idle": "2026-08-03T06:21:53.357555Z",
-     "shell.execute_reply": "2026-08-03T06:21:53.357213Z"
+     "iopub.execute_input": "2026-08-04T13:20:25.430857Z",
+     "iopub.status.busy": "2026-08-04T13:20:25.430753Z",
+     "iopub.status.idle": "2026-08-04T13:20:25.433149Z",
+     "shell.execute_reply": "2026-08-04T13:20:25.432686Z"
     }
    },
    "outputs": [
@@ -993,7 +999,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b7fa2772",
+   "id": "e3e98206",
    "metadata": {},
    "source": [
     "`leakage_mae` is the grouped MAE minus the random one. A large **positive**\n",
@@ -1039,13 +1045,13 @@
   {
    "cell_type": "code",
    "execution_count": 15,
-   "id": "e49fde54",
+   "id": "318d32bb",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:53.358336Z",
-     "iopub.status.busy": "2026-08-03T06:21:53.358250Z",
-     "iopub.status.idle": "2026-08-03T06:21:53.361940Z",
-     "shell.execute_reply": "2026-08-03T06:21:53.361538Z"
+     "iopub.execute_input": "2026-08-04T13:20:25.434031Z",
+     "iopub.status.busy": "2026-08-04T13:20:25.433945Z",
+     "iopub.status.idle": "2026-08-04T13:20:25.446944Z",
+     "shell.execute_reply": "2026-08-04T13:20:25.446442Z"
     }
    },
    "outputs": [
@@ -1073,7 +1079,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a3838dce",
+   "id": "8122074e",
    "metadata": {},
    "source": [
     "Each round: fit on what is known, ask for a batch, \"compute\" it, fold it back."
@@ -1082,13 +1088,13 @@
   {
    "cell_type": "code",
    "execution_count": 16,
-   "id": "2d06e474",
+   "id": "82600d71",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:53.362746Z",
-     "iopub.status.busy": "2026-08-03T06:21:53.362662Z",
-     "iopub.status.idle": "2026-08-03T06:21:53.875306Z",
-     "shell.execute_reply": "2026-08-03T06:21:53.874820Z"
+     "iopub.execute_input": "2026-08-04T13:20:25.448039Z",
+     "iopub.status.busy": "2026-08-04T13:20:25.447913Z",
+     "iopub.status.idle": "2026-08-04T13:20:25.994214Z",
+     "shell.execute_reply": "2026-08-04T13:20:25.993652Z"
     }
    },
    "outputs": [
@@ -1219,13 +1225,13 @@
   {
    "cell_type": "code",
    "execution_count": 17,
-   "id": "d8088ca4",
+   "id": "60f17282",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:53.876220Z",
-     "iopub.status.busy": "2026-08-03T06:21:53.876125Z",
-     "iopub.status.idle": "2026-08-03T06:21:53.878639Z",
-     "shell.execute_reply": "2026-08-03T06:21:53.878306Z"
+     "iopub.execute_input": "2026-08-04T13:20:25.995297Z",
+     "iopub.status.busy": "2026-08-04T13:20:25.995154Z",
+     "iopub.status.idle": "2026-08-04T13:20:25.998154Z",
+     "shell.execute_reply": "2026-08-04T13:20:25.997610Z"
     }
    },
    "outputs": [
@@ -1247,20 +1253,20 @@
   {
    "cell_type": "code",
    "execution_count": 18,
-   "id": "5bcaea07",
+   "id": "2b138a0f",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:53.879379Z",
-     "iopub.status.busy": "2026-08-03T06:21:53.879294Z",
-     "iopub.status.idle": "2026-08-03T06:21:53.994309Z",
-     "shell.execute_reply": "2026-08-03T06:21:53.993764Z"
+     "iopub.execute_input": "2026-08-04T13:20:25.999169Z",
+     "iopub.status.busy": "2026-08-04T13:20:25.999053Z",
+     "iopub.status.idle": "2026-08-04T13:20:26.137955Z",
+     "shell.execute_reply": "2026-08-04T13:20:26.137275Z"
     }
    },
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "<matplotlib.legend.Legend at 0x7fbd4b4f7ce0>"
+       "<matplotlib.legend.Legend at 0x7f835584e000>"
       ]
      },
      "execution_count": 18,
@@ -1299,7 +1305,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "46a2fc20",
+   "id": "fc7984ca",
    "metadata": {},
    "source": [
     "The campaign found the true optimum having computed a fraction of the\n",
@@ -1327,13 +1333,13 @@
   {
    "cell_type": "code",
    "execution_count": 19,
-   "id": "e8311827",
+   "id": "0896c898",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:53.995226Z",
-     "iopub.status.busy": "2026-08-03T06:21:53.995129Z",
-     "iopub.status.idle": "2026-08-03T06:21:53.997800Z",
-     "shell.execute_reply": "2026-08-03T06:21:53.997445Z"
+     "iopub.execute_input": "2026-08-04T13:20:26.138995Z",
+     "iopub.status.busy": "2026-08-04T13:20:26.138865Z",
+     "iopub.status.idle": "2026-08-04T13:20:26.141835Z",
+     "shell.execute_reply": "2026-08-04T13:20:26.141307Z"
     }
    },
    "outputs": [
@@ -1356,13 +1362,13 @@
   {
    "cell_type": "code",
    "execution_count": 20,
-   "id": "9a4444ee",
+   "id": "7073266e",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:53.998527Z",
-     "iopub.status.busy": "2026-08-03T06:21:53.998439Z",
-     "iopub.status.idle": "2026-08-03T06:21:54.112461Z",
-     "shell.execute_reply": "2026-08-03T06:21:54.112021Z"
+     "iopub.execute_input": "2026-08-04T13:20:26.142895Z",
+     "iopub.status.busy": "2026-08-04T13:20:26.142780Z",
+     "iopub.status.idle": "2026-08-04T13:20:26.261936Z",
+     "shell.execute_reply": "2026-08-04T13:20:26.261455Z"
     }
    },
    "outputs": [
@@ -1405,7 +1411,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f805a130",
+   "id": "70604149",
    "metadata": {},
    "source": [
     "A candidate is worth computing either because its predicted value is good or\n",
@@ -1422,13 +1428,13 @@
   {
    "cell_type": "code",
    "execution_count": 21,
-   "id": "39bb137d",
+   "id": "1d4eb9e2",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:54.113369Z",
-     "iopub.status.busy": "2026-08-03T06:21:54.113213Z",
-     "iopub.status.idle": "2026-08-03T06:21:54.118177Z",
-     "shell.execute_reply": "2026-08-03T06:21:54.117758Z"
+     "iopub.execute_input": "2026-08-04T13:20:26.263139Z",
+     "iopub.status.busy": "2026-08-04T13:20:26.263002Z",
+     "iopub.status.idle": "2026-08-04T13:20:26.269630Z",
+     "shell.execute_reply": "2026-08-04T13:20:26.268900Z"
     }
    },
    "outputs": [
@@ -1455,7 +1461,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "d62e0583",
+   "id": "65ec2cbc",
    "metadata": {},
    "source": [
     "Farthest-point selection among a shortlist, so the batch spreads out in\n",
@@ -1479,13 +1485,13 @@
   {
    "cell_type": "code",
    "execution_count": 22,
-   "id": "e91f4710",
+   "id": "02e797db",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:54.119016Z",
-     "iopub.status.busy": "2026-08-03T06:21:54.118922Z",
-     "iopub.status.idle": "2026-08-03T06:21:54.370477Z",
-     "shell.execute_reply": "2026-08-03T06:21:54.370046Z"
+     "iopub.execute_input": "2026-08-04T13:20:26.271168Z",
+     "iopub.status.busy": "2026-08-04T13:20:26.270725Z",
+     "iopub.status.idle": "2026-08-04T13:20:26.535183Z",
+     "shell.execute_reply": "2026-08-04T13:20:26.534585Z"
     }
    },
    "outputs": [
@@ -1516,7 +1522,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "c7f75062",
+   "id": "e022879d",
    "metadata": {},
    "source": [
     "`mv.pl.parity` draws the error bars when an uncertainty column exists,\n",
@@ -1533,13 +1539,13 @@
   {
    "cell_type": "code",
    "execution_count": 23,
-   "id": "ef2ecf72",
+   "id": "bc3686d2",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:54.371387Z",
-     "iopub.status.busy": "2026-08-03T06:21:54.371300Z",
-     "iopub.status.idle": "2026-08-03T06:21:54.690352Z",
-     "shell.execute_reply": "2026-08-03T06:21:54.689970Z"
+     "iopub.execute_input": "2026-08-04T13:20:26.536208Z",
+     "iopub.status.busy": "2026-08-04T13:20:26.536095Z",
+     "iopub.status.idle": "2026-08-04T13:20:26.864672Z",
+     "shell.execute_reply": "2026-08-04T13:20:26.864137Z"
     }
    },
    "outputs": [
@@ -1573,7 +1579,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "95444be6",
+   "id": "40f7fa30",
    "metadata": {},
    "source": [
     "A bar chart of 118 categories is unreadable and throws away the structure a\n",
@@ -1584,13 +1590,13 @@
   {
    "cell_type": "code",
    "execution_count": 24,
-   "id": "4789379d",
+   "id": "28f79aba",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:54.691315Z",
-     "iopub.status.busy": "2026-08-03T06:21:54.691220Z",
-     "iopub.status.idle": "2026-08-03T06:21:54.778969Z",
-     "shell.execute_reply": "2026-08-03T06:21:54.778569Z"
+     "iopub.execute_input": "2026-08-04T13:20:26.865830Z",
+     "iopub.status.busy": "2026-08-04T13:20:26.865696Z",
+     "iopub.status.idle": "2026-08-04T13:20:26.956325Z",
+     "shell.execute_reply": "2026-08-04T13:20:26.955534Z"
     }
    },
    "outputs": [
@@ -1627,7 +1633,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e92c334c",
+   "id": "c0fc4a3a",
    "metadata": {},
    "source": [
     "### The rest\n",
@@ -1646,13 +1652,13 @@
   {
    "cell_type": "code",
    "execution_count": 25,
-   "id": "5f86547d",
+   "id": "a10e810e",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:54.779840Z",
-     "iopub.status.busy": "2026-08-03T06:21:54.779741Z",
-     "iopub.status.idle": "2026-08-03T06:21:55.427914Z",
-     "shell.execute_reply": "2026-08-03T06:21:55.427439Z"
+     "iopub.execute_input": "2026-08-04T13:20:26.957468Z",
+     "iopub.status.busy": "2026-08-04T13:20:26.957340Z",
+     "iopub.status.idle": "2026-08-04T13:20:27.645915Z",
+     "shell.execute_reply": "2026-08-04T13:20:27.645448Z"
     }
    },
    "outputs": [
@@ -1678,7 +1684,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "19285d88",
+   "id": "cdcf5831",
    "metadata": {},
    "source": [
     "```{note}\n",
diff --git a/matverse_guide/docs/tutorials/molecules.ipynb b/matverse_guide/docs/tutorials/molecules.ipynb
index 7be2bdf..44a39b4 100644
--- a/matverse_guide/docs/tutorials/molecules.ipynb
+++ b/matverse_guide/docs/tutorials/molecules.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "1abdfacd",
+   "id": "293b68c5",
    "metadata": {},
    "source": [
     "# Molecules\n",
@@ -27,13 +27,13 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "7a8d4ec4",
+   "id": "436aee5c",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:42.652506Z",
-     "iopub.status.busy": "2026-08-03T06:25:42.652341Z",
-     "iopub.status.idle": "2026-08-03T06:25:45.715497Z",
-     "shell.execute_reply": "2026-08-03T06:25:45.715046Z"
+     "iopub.execute_input": "2026-08-04T13:25:05.395841Z",
+     "iopub.status.busy": "2026-08-04T13:25:05.395734Z",
+     "iopub.status.idle": "2026-08-04T13:25:09.892730Z",
+     "shell.execute_reply": "2026-08-04T13:25:09.892179Z"
     }
    },
    "outputs": [
@@ -41,20 +41,26 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "🔬 Starting plot initialization...\n",
-      "🧪 Calculators available: 6\n",
-      "    • emt — EMT (LGPL-2.1)\n",
-      "    • lj — Lennard-Jones (LGPL-2.1)\n",
-      "    • mace-mpa — mace-mpa (unstated)\n",
-      "    • mace-omat — mace-omat (unstated)\n",
-      "    • sevennet — sevennet (unstated)\n",
-      "    • chgnet — chgnet (unstated)\n"
+      "🔬 Starting plot initialization...\n"
      ]
     },
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
+      "🧪 Calculators available: 12\n",
+      "    • emt — EMT (LGPL-2.1)\n",
+      "    • lj — Lennard-Jones (LGPL-2.1)\n",
+      "    • mace-mpa — mace-mpa (unstated)\n",
+      "    • mace-omat — mace-omat (unstated)\n",
+      "    • sevennet — sevennet (unstated)\n",
+      "    • chgnet — chgnet (unstated)\n",
+      "    • m3gnet — M3GNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • m3gnet-r2scan — M3GNet-PES-MatPES-r2SCAN-2025.2 (BSD-3-Clause)\n",
+      "    • tensornet — TensorNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • orb — ORB v3 conservative (Apache-2.0)\n",
+      "    • gpaw-pbe — GPAW PBE, PW(500 eV) (GPL-3.0)\n",
+      "    • gpaw-pbe-fast — GPAW PBE, PW(400 eV) (GPL-3.0)\n",
       "🖥️ NVIDIA CUDA GPUs: 1\n",
       "    • [CUDA 0] NVIDIA H100 80GB HBM3 — 79.1 GB, compute 9.0\n",
       "\n",
@@ -64,7 +70,7 @@
       " / / / / / / /_/ / /_ | |/ /  __/ /  (__  )  __/\n",
       "/_/ /_/ /_/\\__,_/\\__/ |___/\\___/_/  /____/\\___/\n",
       "\n",
-      "🔖 Version: 0.1.71   🧮 Functions: 213   📚 Tutorials: https://matverse.readthedocs.io/\n",
+      "🔖 Version: 0.1.71   🧮 Functions: 214   📚 Tutorials: https://matverse.readthedocs.io/\n",
       "✅ set_style complete.\n",
       "\n"
      ]
@@ -80,7 +86,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "2c665439",
+   "id": "85370ffd",
    "metadata": {},
    "source": [
     "## Loading a dataset\n",
@@ -92,13 +98,13 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "e763949a",
+   "id": "4d1b8feb",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:45.716729Z",
-     "iopub.status.busy": "2026-08-03T06:25:45.716427Z",
-     "iopub.status.idle": "2026-08-03T06:25:45.762062Z",
-     "shell.execute_reply": "2026-08-03T06:25:45.761660Z"
+     "iopub.execute_input": "2026-08-04T13:25:09.894520Z",
+     "iopub.status.busy": "2026-08-04T13:25:09.894110Z",
+     "iopub.status.idle": "2026-08-04T13:25:09.906484Z",
+     "shell.execute_reply": "2026-08-04T13:25:09.906030Z"
     }
    },
    "outputs": [
@@ -142,13 +148,13 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "1eb52f03",
+   "id": "e75cb89f",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:45.763003Z",
-     "iopub.status.busy": "2026-08-03T06:25:45.762823Z",
-     "iopub.status.idle": "2026-08-03T06:25:45.769391Z",
-     "shell.execute_reply": "2026-08-03T06:25:45.768994Z"
+     "iopub.execute_input": "2026-08-04T13:25:09.907963Z",
+     "iopub.status.busy": "2026-08-04T13:25:09.907863Z",
+     "iopub.status.idle": "2026-08-04T13:25:09.915370Z",
+     "shell.execute_reply": "2026-08-04T13:25:09.914866Z"
     }
    },
    "outputs": [
@@ -232,7 +238,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f760683c",
+   "id": "643537fe",
    "metadata": {},
    "source": [
     "The composition matrix, built without being asked, exactly as for a crystal.\n",
@@ -242,13 +248,13 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "4c54ce6d",
+   "id": "07a2acfe",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:45.770693Z",
-     "iopub.status.busy": "2026-08-03T06:25:45.770602Z",
-     "iopub.status.idle": "2026-08-03T06:25:45.778201Z",
-     "shell.execute_reply": "2026-08-03T06:25:45.777833Z"
+     "iopub.execute_input": "2026-08-04T13:25:09.916448Z",
+     "iopub.status.busy": "2026-08-04T13:25:09.916347Z",
+     "iopub.status.idle": "2026-08-04T13:25:09.925369Z",
+     "shell.execute_reply": "2026-08-04T13:25:09.924974Z"
     }
    },
    "outputs": [
@@ -343,7 +349,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "8cc3ba30",
+   "id": "4888a5f3",
    "metadata": {},
    "source": [
     "`volume` and `density` are NaN, because they are properties of a *cell* and a\n",
@@ -354,13 +360,13 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "3b2a129b",
+   "id": "b4348e14",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:45.778946Z",
-     "iopub.status.busy": "2026-08-03T06:25:45.778860Z",
-     "iopub.status.idle": "2026-08-03T06:25:45.792473Z",
-     "shell.execute_reply": "2026-08-03T06:25:45.792077Z"
+     "iopub.execute_input": "2026-08-04T13:25:09.926418Z",
+     "iopub.status.busy": "2026-08-04T13:25:09.926315Z",
+     "iopub.status.idle": "2026-08-04T13:25:09.941408Z",
+     "shell.execute_reply": "2026-08-04T13:25:09.940998Z"
     }
    },
    "outputs": [
@@ -434,7 +440,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "8b8333b9",
+   "id": "6ee5995e",
    "metadata": {},
    "source": [
     "## Symmetry\n",
@@ -445,13 +451,13 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "1be33963",
+   "id": "c6e01989",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:45.793247Z",
-     "iopub.status.busy": "2026-08-03T06:25:45.793156Z",
-     "iopub.status.idle": "2026-08-03T06:25:45.827912Z",
-     "shell.execute_reply": "2026-08-03T06:25:45.827532Z"
+     "iopub.execute_input": "2026-08-04T13:25:09.942565Z",
+     "iopub.status.busy": "2026-08-04T13:25:09.942463Z",
+     "iopub.status.idle": "2026-08-04T13:25:09.980821Z",
+     "shell.execute_reply": "2026-08-04T13:25:09.980390Z"
     }
    },
    "outputs": [
@@ -542,7 +548,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e958c7b9",
+   "id": "9c0298de",
    "metadata": {},
    "source": [
     "C2v for water, **Td** for methane, C3v for ammonia, Cs for ethanol — the\n",
@@ -564,13 +570,13 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "2cb89a27",
+   "id": "bf7ed6ae",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:45.828682Z",
-     "iopub.status.busy": "2026-08-03T06:25:45.828598Z",
-     "iopub.status.idle": "2026-08-03T06:25:45.944468Z",
-     "shell.execute_reply": "2026-08-03T06:25:45.944052Z"
+     "iopub.execute_input": "2026-08-04T13:25:09.981902Z",
+     "iopub.status.busy": "2026-08-04T13:25:09.981805Z",
+     "iopub.status.idle": "2026-08-04T13:25:10.108561Z",
+     "shell.execute_reply": "2026-08-04T13:25:10.108105Z"
     }
    },
    "outputs": [
@@ -609,7 +615,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "8d8c8d80",
+   "id": "e18db3f1",
    "metadata": {},
    "source": [
     "## Bonds\n",
@@ -622,13 +628,13 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "7fd03314",
+   "id": "109136d8",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:45.945373Z",
-     "iopub.status.busy": "2026-08-03T06:25:45.945280Z",
-     "iopub.status.idle": "2026-08-03T06:25:46.564845Z",
-     "shell.execute_reply": "2026-08-03T06:25:46.564452Z"
+     "iopub.execute_input": "2026-08-04T13:25:10.109641Z",
+     "iopub.status.busy": "2026-08-04T13:25:10.109534Z",
+     "iopub.status.idle": "2026-08-04T13:25:10.709693Z",
+     "shell.execute_reply": "2026-08-04T13:25:10.709255Z"
     }
    },
    "outputs": [
@@ -652,7 +658,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "025c90fd",
+   "id": "ba62d2bd",
    "metadata": {},
    "source": [
     "Different *perception*, though. A crystal's neighbours come from Voronoi solid\n",
@@ -663,13 +669,13 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "bd34f89c",
+   "id": "a8062095",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:46.566029Z",
-     "iopub.status.busy": "2026-08-03T06:25:46.565709Z",
-     "iopub.status.idle": "2026-08-03T06:25:46.568082Z",
-     "shell.execute_reply": "2026-08-03T06:25:46.567745Z"
+     "iopub.execute_input": "2026-08-04T13:25:10.711092Z",
+     "iopub.status.busy": "2026-08-04T13:25:10.710702Z",
+     "iopub.status.idle": "2026-08-04T13:25:10.713436Z",
+     "shell.execute_reply": "2026-08-04T13:25:10.712998Z"
     }
    },
    "outputs": [
@@ -692,7 +698,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "0971abc0",
+   "id": "6de6798b",
    "metadata": {},
    "source": [
     "## Descriptors that need the graph"
@@ -701,13 +707,13 @@
   {
    "cell_type": "code",
    "execution_count": 10,
-   "id": "cb404675",
+   "id": "5f758b13",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:46.568785Z",
-     "iopub.status.busy": "2026-08-03T06:25:46.568706Z",
-     "iopub.status.idle": "2026-08-03T06:25:46.582270Z",
-     "shell.execute_reply": "2026-08-03T06:25:46.581816Z"
+     "iopub.execute_input": "2026-08-04T13:25:10.714305Z",
+     "iopub.status.busy": "2026-08-04T13:25:10.714197Z",
+     "iopub.status.idle": "2026-08-04T13:25:10.728876Z",
+     "shell.execute_reply": "2026-08-04T13:25:10.728441Z"
     }
    },
    "outputs": [
@@ -803,7 +809,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e48a7ad6",
+   "id": "58751e96",
    "metadata": {},
    "source": [
     "Ethanol has **two rotatable bonds** — C–C and C–O. The C–H bonds are terminal\n",
@@ -827,13 +833,13 @@
   {
    "cell_type": "code",
    "execution_count": 11,
-   "id": "0ce4a4ca",
+   "id": "052f587b",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:46.583057Z",
-     "iopub.status.busy": "2026-08-03T06:25:46.582955Z",
-     "iopub.status.idle": "2026-08-03T06:25:46.604512Z",
-     "shell.execute_reply": "2026-08-03T06:25:46.604134Z"
+     "iopub.execute_input": "2026-08-04T13:25:10.729914Z",
+     "iopub.status.busy": "2026-08-04T13:25:10.729815Z",
+     "iopub.status.idle": "2026-08-04T13:25:10.752588Z",
+     "shell.execute_reply": "2026-08-04T13:25:10.752122Z"
     }
    },
    "outputs": [
@@ -972,13 +978,13 @@
   {
    "cell_type": "code",
    "execution_count": 12,
-   "id": "2877f6bf",
+   "id": "c9511d66",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:46.605362Z",
-     "iopub.status.busy": "2026-08-03T06:25:46.605280Z",
-     "iopub.status.idle": "2026-08-03T06:25:46.607995Z",
-     "shell.execute_reply": "2026-08-03T06:25:46.607666Z"
+     "iopub.execute_input": "2026-08-04T13:25:10.753589Z",
+     "iopub.status.busy": "2026-08-04T13:25:10.753490Z",
+     "iopub.status.idle": "2026-08-04T13:25:10.756795Z",
+     "shell.execute_reply": "2026-08-04T13:25:10.756357Z"
     }
    },
    "outputs": [
@@ -999,7 +1005,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "4f3ca2a1",
+   "id": "f41eb49b",
    "metadata": {},
    "source": [
     "Every cut splits nine atoms into pieces that still total nine — mass is\n",
@@ -1021,13 +1027,13 @@
   {
    "cell_type": "code",
    "execution_count": 13,
-   "id": "d24c1005",
+   "id": "89728ad2",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:46.608701Z",
-     "iopub.status.busy": "2026-08-03T06:25:46.608619Z",
-     "iopub.status.idle": "2026-08-03T06:25:46.613125Z",
-     "shell.execute_reply": "2026-08-03T06:25:46.612800Z"
+     "iopub.execute_input": "2026-08-04T13:25:10.758018Z",
+     "iopub.status.busy": "2026-08-04T13:25:10.757918Z",
+     "iopub.status.idle": "2026-08-04T13:25:10.763164Z",
+     "shell.execute_reply": "2026-08-04T13:25:10.762773Z"
     }
    },
    "outputs": [
@@ -1099,7 +1105,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "acc96aec",
+   "id": "adf3253f",
    "metadata": {},
    "source": [
     "Ring bonds are not cut, because one cut cannot separate a ring — the molecule\n",
@@ -1120,13 +1126,13 @@
   {
    "cell_type": "code",
    "execution_count": 14,
-   "id": "f332f576",
+   "id": "85352c19",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:46.613828Z",
-     "iopub.status.busy": "2026-08-03T06:25:46.613750Z",
-     "iopub.status.idle": "2026-08-03T06:25:46.626162Z",
-     "shell.execute_reply": "2026-08-03T06:25:46.625732Z"
+     "iopub.execute_input": "2026-08-04T13:25:10.764366Z",
+     "iopub.status.busy": "2026-08-04T13:25:10.764261Z",
+     "iopub.status.idle": "2026-08-04T13:25:10.777621Z",
+     "shell.execute_reply": "2026-08-04T13:25:10.777257Z"
     }
    },
    "outputs": [
@@ -1210,13 +1216,13 @@
   {
    "cell_type": "code",
    "execution_count": 15,
-   "id": "24427ff6",
+   "id": "123bee5c",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:46.627012Z",
-     "iopub.status.busy": "2026-08-03T06:25:46.626929Z",
-     "iopub.status.idle": "2026-08-03T06:25:46.629018Z",
-     "shell.execute_reply": "2026-08-03T06:25:46.628715Z"
+     "iopub.execute_input": "2026-08-04T13:25:10.778732Z",
+     "iopub.status.busy": "2026-08-04T13:25:10.778631Z",
+     "iopub.status.idle": "2026-08-04T13:25:10.781050Z",
+     "shell.execute_reply": "2026-08-04T13:25:10.780642Z"
     }
    },
    "outputs": [
@@ -1243,7 +1249,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "21be27da",
+   "id": "8c076544",
    "metadata": {},
    "source": [
     "The translated copy of water is recognised: matching is on the reduced formula\n",
@@ -1259,13 +1265,13 @@
   {
    "cell_type": "code",
    "execution_count": 16,
-   "id": "6449a45d",
+   "id": "27026db2",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:46.629880Z",
-     "iopub.status.busy": "2026-08-03T06:25:46.629802Z",
-     "iopub.status.idle": "2026-08-03T06:25:46.765356Z",
-     "shell.execute_reply": "2026-08-03T06:25:46.764889Z"
+     "iopub.execute_input": "2026-08-04T13:25:10.782062Z",
+     "iopub.status.busy": "2026-08-04T13:25:10.781892Z",
+     "iopub.status.idle": "2026-08-04T13:25:10.920916Z",
+     "shell.execute_reply": "2026-08-04T13:25:10.920411Z"
     }
    },
    "outputs": [
@@ -1302,7 +1308,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a1886d5c",
+   "id": "317800df",
    "metadata": {},
    "source": [
     "Crude, and it needs nothing extra. With `py3Dmol` installed the default backend\n",
@@ -1319,13 +1325,13 @@
   {
    "cell_type": "code",
    "execution_count": 17,
-   "id": "54b5d2bc",
+   "id": "44e85339",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:46.766299Z",
-     "iopub.status.busy": "2026-08-03T06:25:46.766197Z",
-     "iopub.status.idle": "2026-08-03T06:25:46.810935Z",
-     "shell.execute_reply": "2026-08-03T06:25:46.810527Z"
+     "iopub.execute_input": "2026-08-04T13:25:10.921936Z",
+     "iopub.status.busy": "2026-08-04T13:25:10.921832Z",
+     "iopub.status.idle": "2026-08-04T13:25:10.936651Z",
+     "shell.execute_reply": "2026-08-04T13:25:10.936210Z"
     }
    },
    "outputs": [
@@ -1419,7 +1425,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "4be79d5c",
+   "id": "5c4a73fc",
    "metadata": {},
    "source": [
     "QC, composition descriptors and even a calculator run unmodified. EMT is\n",
@@ -1435,13 +1441,13 @@
   {
    "cell_type": "code",
    "execution_count": 18,
-   "id": "2c0fb239",
+   "id": "0577cad5",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:46.811765Z",
-     "iopub.status.busy": "2026-08-03T06:25:46.811675Z",
-     "iopub.status.idle": "2026-08-03T06:25:46.817755Z",
-     "shell.execute_reply": "2026-08-03T06:25:46.817374Z"
+     "iopub.execute_input": "2026-08-04T13:25:10.937619Z",
+     "iopub.status.busy": "2026-08-04T13:25:10.937476Z",
+     "iopub.status.idle": "2026-08-04T13:25:10.943771Z",
+     "shell.execute_reply": "2026-08-04T13:25:10.943335Z"
     }
    },
    "outputs": [
@@ -1462,7 +1468,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "544bcf11",
+   "id": "7a54adb1",
    "metadata": {},
    "source": [
     "```{seealso}\n",
@@ -1474,7 +1480,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "60cc9aa0",
+   "id": "bcd9c99a",
    "metadata": {},
    "source": [
     "## Are the bonds the right length?\n",
@@ -1489,13 +1495,13 @@
   {
    "cell_type": "code",
    "execution_count": 19,
-   "id": "7b3612fc",
+   "id": "a88650eb",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:46.818515Z",
-     "iopub.status.busy": "2026-08-03T06:25:46.818424Z",
-     "iopub.status.idle": "2026-08-03T06:25:46.835286Z",
-     "shell.execute_reply": "2026-08-03T06:25:46.834900Z"
+     "iopub.execute_input": "2026-08-04T13:25:10.944609Z",
+     "iopub.status.busy": "2026-08-04T13:25:10.944505Z",
+     "iopub.status.idle": "2026-08-04T13:25:10.961821Z",
+     "shell.execute_reply": "2026-08-04T13:25:10.961406Z"
     }
    },
    "outputs": [
@@ -1595,7 +1601,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "cb08759c",
+   "id": "8b20d350",
    "metadata": {},
    "source": [
     "Water comes out at **zero** deviation, because it was built at exactly the\n",
@@ -1617,7 +1623,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "bd273083",
+   "id": "c7f6e3e3",
    "metadata": {},
    "source": [
     "## Two questions that both mean \"the same molecule\"\n",
@@ -1633,13 +1639,13 @@
   {
    "cell_type": "code",
    "execution_count": 20,
-   "id": "b2f8e4d7",
+   "id": "5ed96233",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:46.836047Z",
-     "iopub.status.busy": "2026-08-03T06:25:46.835960Z",
-     "iopub.status.idle": "2026-08-03T06:25:46.846858Z",
-     "shell.execute_reply": "2026-08-03T06:25:46.846460Z"
+     "iopub.execute_input": "2026-08-04T13:25:10.964086Z",
+     "iopub.status.busy": "2026-08-04T13:25:10.963979Z",
+     "iopub.status.idle": "2026-08-04T13:25:10.975773Z",
+     "shell.execute_reply": "2026-08-04T13:25:10.975264Z"
     }
    },
    "outputs": [
@@ -1669,7 +1675,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "96791df0",
+   "id": "1ea958b2",
    "metadata": {},
    "source": [
     "**Geometry says two molecules. Topology says one.**\n",
@@ -1686,7 +1692,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b9f829ca",
+   "id": "ff6c3e35",
    "metadata": {},
    "source": [
     "## Which bond breaks first\n",
@@ -1700,13 +1706,13 @@
   {
    "cell_type": "code",
    "execution_count": 21,
-   "id": "a3cae48f",
+   "id": "d1ae6c2c",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:46.847660Z",
-     "iopub.status.busy": "2026-08-03T06:25:46.847575Z",
-     "iopub.status.idle": "2026-08-03T06:25:46.870551Z",
-     "shell.execute_reply": "2026-08-03T06:25:46.870160Z"
+     "iopub.execute_input": "2026-08-04T13:25:10.976769Z",
+     "iopub.status.busy": "2026-08-04T13:25:10.976608Z",
+     "iopub.status.idle": "2026-08-04T13:25:11.001033Z",
+     "shell.execute_reply": "2026-08-04T13:25:11.000491Z"
     }
    },
    "outputs": [
@@ -1829,7 +1835,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "0f95875c",
+   "id": "6158b35a",
    "metadata": {},
    "source": [
     "Eight bonds, one row each, every one named. With the placeholder energies above\n",
@@ -1854,7 +1860,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "4a83e78e",
+   "id": "4d1dc7e5",
    "metadata": {},
    "source": [
     "## What is actually on the molecule\n",
@@ -1871,13 +1877,13 @@
   {
    "cell_type": "code",
    "execution_count": 22,
-   "id": "dd5dbd70",
+   "id": "bad10968",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:46.871388Z",
-     "iopub.status.busy": "2026-08-03T06:25:46.871294Z",
-     "iopub.status.idle": "2026-08-03T06:25:46.881592Z",
-     "shell.execute_reply": "2026-08-03T06:25:46.881225Z"
+     "iopub.execute_input": "2026-08-04T13:25:11.001961Z",
+     "iopub.status.busy": "2026-08-04T13:25:11.001854Z",
+     "iopub.status.idle": "2026-08-04T13:25:11.013567Z",
+     "shell.execute_reply": "2026-08-04T13:25:11.013090Z"
     }
    },
    "outputs": [
@@ -1916,7 +1922,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e2097e5e",
+   "id": "a7642c9e",
    "metadata": {},
    "source": [
     "Ethanol comes back as `[CH3];[OH]` — a methyl and a hydroxyl, which is what it\n",
@@ -1939,7 +1945,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a1ecc8ae",
+   "id": "bf8266ff",
    "metadata": {},
    "source": [
     "## Free energies, and the mode you trust least\n",
@@ -1957,13 +1963,13 @@
   {
    "cell_type": "code",
    "execution_count": 23,
-   "id": "d487a5e0",
+   "id": "04874f9b",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:25:46.882339Z",
-     "iopub.status.busy": "2026-08-03T06:25:46.882251Z",
-     "iopub.status.idle": "2026-08-03T06:25:46.892895Z",
-     "shell.execute_reply": "2026-08-03T06:25:46.892536Z"
+     "iopub.execute_input": "2026-08-04T13:25:11.014512Z",
+     "iopub.status.busy": "2026-08-04T13:25:11.014409Z",
+     "iopub.status.idle": "2026-08-04T13:25:11.026047Z",
+     "shell.execute_reply": "2026-08-04T13:25:11.025616Z"
     }
    },
    "outputs": [
@@ -2042,7 +2048,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "9473de96",
+   "id": "4df9d027",
    "metadata": {},
    "source": [
     "Same molecule, same energy, one mode moved. The stiff case agrees to four\n",
diff --git a/matverse_guide/docs/tutorials/screening.ipynb b/matverse_guide/docs/tutorials/screening.ipynb
index 6485530..e91f44b 100644
--- a/matverse_guide/docs/tutorials/screening.ipynb
+++ b/matverse_guide/docs/tutorials/screening.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "93cdf76a",
+   "id": "48107288",
    "metadata": {},
    "source": [
     "# Screening, end to end\n",
@@ -26,13 +26,13 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "6122299e",
+   "id": "756ec53b",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:21.411284Z",
-     "iopub.status.busy": "2026-08-03T06:21:21.411190Z",
-     "iopub.status.idle": "2026-08-03T06:21:24.437964Z",
-     "shell.execute_reply": "2026-08-03T06:21:24.437517Z"
+     "iopub.execute_input": "2026-08-04T13:19:27.305439Z",
+     "iopub.status.busy": "2026-08-04T13:19:27.305337Z",
+     "iopub.status.idle": "2026-08-04T13:19:35.332817Z",
+     "shell.execute_reply": "2026-08-04T13:19:35.332268Z"
     }
    },
    "outputs": [
@@ -40,20 +40,26 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "🔬 Starting plot initialization...\n",
-      "🧪 Calculators available: 6\n",
-      "    • emt — EMT (LGPL-2.1)\n",
-      "    • lj — Lennard-Jones (LGPL-2.1)\n",
-      "    • mace-mpa — mace-mpa (unstated)\n",
-      "    • mace-omat — mace-omat (unstated)\n",
-      "    • sevennet — sevennet (unstated)\n",
-      "    • chgnet — chgnet (unstated)\n"
+      "🔬 Starting plot initialization...\n"
      ]
     },
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
+      "🧪 Calculators available: 12\n",
+      "    • emt — EMT (LGPL-2.1)\n",
+      "    • lj — Lennard-Jones (LGPL-2.1)\n",
+      "    • mace-mpa — mace-mpa (unstated)\n",
+      "    • mace-omat — mace-omat (unstated)\n",
+      "    • sevennet — sevennet (unstated)\n",
+      "    • chgnet — chgnet (unstated)\n",
+      "    • m3gnet — M3GNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • m3gnet-r2scan — M3GNet-PES-MatPES-r2SCAN-2025.2 (BSD-3-Clause)\n",
+      "    • tensornet — TensorNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • orb — ORB v3 conservative (Apache-2.0)\n",
+      "    • gpaw-pbe — GPAW PBE, PW(500 eV) (GPL-3.0)\n",
+      "    • gpaw-pbe-fast — GPAW PBE, PW(400 eV) (GPL-3.0)\n",
       "🖥️ NVIDIA CUDA GPUs: 1\n",
       "    • [CUDA 0] NVIDIA H100 80GB HBM3 — 79.1 GB, compute 9.0\n",
       "\n",
@@ -63,7 +69,7 @@
       " / / / / / / /_/ / /_ | |/ /  __/ /  (__  )  __/\n",
       "/_/ /_/ /_/\\__,_/\\__/ |___/\\___/_/  /____/\\___/\n",
       "\n",
-      "🔖 Version: 0.1.71   🧮 Functions: 213   📚 Tutorials: https://matverse.readthedocs.io/\n",
+      "🔖 Version: 0.1.71   🧮 Functions: 214   📚 Tutorials: https://matverse.readthedocs.io/\n",
       "✅ set_style complete.\n",
       "\n"
      ]
@@ -78,7 +84,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "56d728c2",
+   "id": "8c12830d",
    "metadata": {},
    "source": [
     "## Build a dataset\n",
@@ -90,13 +96,13 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "d557ddb4",
+   "id": "00a02a97",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:24.439306Z",
-     "iopub.status.busy": "2026-08-03T06:21:24.438960Z",
-     "iopub.status.idle": "2026-08-03T06:21:24.487551Z",
-     "shell.execute_reply": "2026-08-03T06:21:24.487129Z"
+     "iopub.execute_input": "2026-08-04T13:19:35.334872Z",
+     "iopub.status.busy": "2026-08-04T13:19:35.334334Z",
+     "iopub.status.idle": "2026-08-04T13:19:35.349980Z",
+     "shell.execute_reply": "2026-08-04T13:19:35.349238Z"
     }
    },
    "outputs": [
@@ -164,7 +170,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "33fd0404",
+   "id": "49c85e06",
    "metadata": {},
    "source": [
     "The candidates are L1₂ orderings of the same three elements, plus a B2 AlNi.\n",
@@ -175,13 +181,13 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "8d077ca5",
+   "id": "0873a975",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:24.488432Z",
-     "iopub.status.busy": "2026-08-03T06:21:24.488335Z",
-     "iopub.status.idle": "2026-08-03T06:21:24.491216Z",
-     "shell.execute_reply": "2026-08-03T06:21:24.490895Z"
+     "iopub.execute_input": "2026-08-04T13:19:35.351042Z",
+     "iopub.status.busy": "2026-08-04T13:19:35.350902Z",
+     "iopub.status.idle": "2026-08-04T13:19:35.355684Z",
+     "shell.execute_reply": "2026-08-04T13:19:35.354607Z"
     }
    },
    "outputs": [],
@@ -212,7 +218,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "08aab8af",
+   "id": "cce00f1d",
    "metadata": {},
    "source": [
     "Put the published elementals and the candidates into one object. Building it in\n",
@@ -223,13 +229,13 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "a112b08c",
+   "id": "329f87e0",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:24.492010Z",
-     "iopub.status.busy": "2026-08-03T06:21:24.491923Z",
-     "iopub.status.idle": "2026-08-03T06:21:24.498924Z",
-     "shell.execute_reply": "2026-08-03T06:21:24.498431Z"
+     "iopub.execute_input": "2026-08-04T13:19:35.359158Z",
+     "iopub.status.busy": "2026-08-04T13:19:35.359021Z",
+     "iopub.status.idle": "2026-08-04T13:19:35.369548Z",
+     "shell.execute_reply": "2026-08-04T13:19:35.368985Z"
     }
    },
    "outputs": [
@@ -255,7 +261,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "89484531",
+   "id": "ab0e3c5d",
    "metadata": {},
    "source": [
     "Seven materials, three elements. `X` is already the composition matrix and `var`\n",
@@ -276,13 +282,13 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "0d83a3f2",
+   "id": "c881e9d6",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:24.499835Z",
-     "iopub.status.busy": "2026-08-03T06:21:24.499729Z",
-     "iopub.status.idle": "2026-08-03T06:21:24.630154Z",
-     "shell.execute_reply": "2026-08-03T06:21:24.629723Z"
+     "iopub.execute_input": "2026-08-04T13:19:35.370671Z",
+     "iopub.status.busy": "2026-08-04T13:19:35.370545Z",
+     "iopub.status.idle": "2026-08-04T13:19:35.531112Z",
+     "shell.execute_reply": "2026-08-04T13:19:35.530691Z"
     }
    },
    "outputs": [
@@ -384,7 +390,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a3282bb5",
+   "id": "3874f652",
    "metadata": {},
    "source": [
     "`standardize` deposits two new structure variants rather than replacing the\n",
@@ -394,13 +400,13 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "4a7b9276",
+   "id": "808c6887",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:24.631072Z",
-     "iopub.status.busy": "2026-08-03T06:21:24.630981Z",
-     "iopub.status.idle": "2026-08-03T06:21:24.633317Z",
-     "shell.execute_reply": "2026-08-03T06:21:24.632848Z"
+     "iopub.execute_input": "2026-08-04T13:19:35.532757Z",
+     "iopub.status.busy": "2026-08-04T13:19:35.532625Z",
+     "iopub.status.idle": "2026-08-04T13:19:35.536601Z",
+     "shell.execute_reply": "2026-08-04T13:19:35.535848Z"
     }
    },
    "outputs": [
@@ -421,7 +427,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "8cf32cf3",
+   "id": "b78f5e5e",
    "metadata": {},
    "source": [
     "## Throw out what is broken\n",
@@ -435,13 +441,13 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "3a760fde",
+   "id": "595080c2",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:24.634266Z",
-     "iopub.status.busy": "2026-08-03T06:21:24.634182Z",
-     "iopub.status.idle": "2026-08-03T06:21:24.886385Z",
-     "shell.execute_reply": "2026-08-03T06:21:24.885952Z"
+     "iopub.execute_input": "2026-08-04T13:19:35.537797Z",
+     "iopub.status.busy": "2026-08-04T13:19:35.537675Z",
+     "iopub.status.idle": "2026-08-04T13:19:36.093771Z",
+     "shell.execute_reply": "2026-08-04T13:19:36.093330Z"
     }
    },
    "outputs": [
@@ -558,13 +564,13 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "836ba74f",
+   "id": "42a0be31",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:24.887285Z",
-     "iopub.status.busy": "2026-08-03T06:21:24.887180Z",
-     "iopub.status.idle": "2026-08-03T06:21:24.893780Z",
-     "shell.execute_reply": "2026-08-03T06:21:24.893372Z"
+     "iopub.execute_input": "2026-08-04T13:19:36.095554Z",
+     "iopub.status.busy": "2026-08-04T13:19:36.095413Z",
+     "iopub.status.idle": "2026-08-04T13:19:36.104342Z",
+     "shell.execute_reply": "2026-08-04T13:19:36.103855Z"
     }
    },
    "outputs": [
@@ -586,7 +592,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "1d85c894",
+   "id": "74b212a9",
    "metadata": {},
    "source": [
     "This is one of the few calls that returns instead of depositing, because AnnData\n",
@@ -598,13 +604,13 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "933cd9b4",
+   "id": "1d6339e5",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:24.894649Z",
-     "iopub.status.busy": "2026-08-03T06:21:24.894553Z",
-     "iopub.status.idle": "2026-08-03T06:21:24.934136Z",
-     "shell.execute_reply": "2026-08-03T06:21:24.933526Z"
+     "iopub.execute_input": "2026-08-04T13:19:36.105578Z",
+     "iopub.status.busy": "2026-08-04T13:19:36.105457Z",
+     "iopub.status.idle": "2026-08-04T13:19:36.112386Z",
+     "shell.execute_reply": "2026-08-04T13:19:36.111642Z"
     }
    },
    "outputs": [
@@ -631,7 +637,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a6353ff6",
+   "id": "a3043683",
    "metadata": {},
    "source": [
     "`dedup` blocks on `(reduced formula, space group)` before running pymatgen's\n",
@@ -645,13 +651,13 @@
   {
    "cell_type": "code",
    "execution_count": 10,
-   "id": "dac48998",
+   "id": "f878dcdb",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:24.935048Z",
-     "iopub.status.busy": "2026-08-03T06:21:24.934939Z",
-     "iopub.status.idle": "2026-08-03T06:21:25.161330Z",
-     "shell.execute_reply": "2026-08-03T06:21:25.160932Z"
+     "iopub.execute_input": "2026-08-04T13:19:36.113535Z",
+     "iopub.status.busy": "2026-08-04T13:19:36.113392Z",
+     "iopub.status.idle": "2026-08-04T13:19:36.858785Z",
+     "shell.execute_reply": "2026-08-04T13:19:36.858379Z"
     }
    },
    "outputs": [
@@ -761,7 +767,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f7f92dc7",
+   "id": "80d19de5",
    "metadata": {},
    "source": [
     "The relaxed geometry becomes its own variant, `relaxed_emt`, rather than\n",
@@ -774,13 +780,13 @@
   {
    "cell_type": "code",
    "execution_count": 11,
-   "id": "f44bbc99",
+   "id": "e65177a1",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:25.162285Z",
-     "iopub.status.busy": "2026-08-03T06:21:25.162190Z",
-     "iopub.status.idle": "2026-08-03T06:21:25.164425Z",
-     "shell.execute_reply": "2026-08-03T06:21:25.164102Z"
+     "iopub.execute_input": "2026-08-04T13:19:36.860102Z",
+     "iopub.status.busy": "2026-08-04T13:19:36.860003Z",
+     "iopub.status.idle": "2026-08-04T13:19:36.863530Z",
+     "shell.execute_reply": "2026-08-04T13:19:36.863197Z"
     }
    },
    "outputs": [
@@ -812,7 +818,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "556a6550",
+   "id": "9b3c7782",
    "metadata": {},
    "source": [
     "`surrogate: True` and `license: 'LGPL-2.1'` are not decoration. The first is\n",
@@ -826,13 +832,13 @@
   {
    "cell_type": "code",
    "execution_count": 12,
-   "id": "d4fb374d",
+   "id": "d6ca6e27",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:25.165321Z",
-     "iopub.status.busy": "2026-08-03T06:21:25.165230Z",
-     "iopub.status.idle": "2026-08-03T06:21:25.803484Z",
-     "shell.execute_reply": "2026-08-03T06:21:25.803054Z"
+     "iopub.execute_input": "2026-08-04T13:19:36.864648Z",
+     "iopub.status.busy": "2026-08-04T13:19:36.864557Z",
+     "iopub.status.idle": "2026-08-04T13:19:37.795959Z",
+     "shell.execute_reply": "2026-08-04T13:19:37.795473Z"
     }
    },
    "outputs": [
@@ -942,7 +948,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "aece8062",
+   "id": "70bcfe2b",
    "metadata": {},
    "source": [
     "```{warning}\n",
@@ -971,13 +977,13 @@
   {
    "cell_type": "code",
    "execution_count": 13,
-   "id": "328a44c1",
+   "id": "ace22dd0",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:25.804416Z",
-     "iopub.status.busy": "2026-08-03T06:21:25.804318Z",
-     "iopub.status.idle": "2026-08-03T06:21:25.954002Z",
-     "shell.execute_reply": "2026-08-03T06:21:25.953559Z"
+     "iopub.execute_input": "2026-08-04T13:19:37.797142Z",
+     "iopub.status.busy": "2026-08-04T13:19:37.797036Z",
+     "iopub.status.idle": "2026-08-04T13:19:38.125026Z",
+     "shell.execute_reply": "2026-08-04T13:19:38.124556Z"
     }
    },
    "outputs": [
@@ -1003,7 +1009,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "92a2fe9f",
+   "id": "b0384eac",
    "metadata": {},
    "source": [
     "The hull plot labels itself when the hull is closed, because a convex hull drawn\n",
@@ -1018,13 +1024,13 @@
   {
    "cell_type": "code",
    "execution_count": 14,
-   "id": "e0d5fc9f",
+   "id": "29d9bd25",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:25.954895Z",
-     "iopub.status.busy": "2026-08-03T06:21:25.954803Z",
-     "iopub.status.idle": "2026-08-03T06:21:25.957010Z",
-     "shell.execute_reply": "2026-08-03T06:21:25.956680Z"
+     "iopub.execute_input": "2026-08-04T13:19:38.126200Z",
+     "iopub.status.busy": "2026-08-04T13:19:38.126095Z",
+     "iopub.status.idle": "2026-08-04T13:19:38.128675Z",
+     "shell.execute_reply": "2026-08-04T13:19:38.128237Z"
     }
    },
    "outputs": [
@@ -1045,7 +1051,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e5721b44",
+   "id": "52c790f2",
    "metadata": {},
    "source": [
     "The object records which kind of number you have, so a later reader does not\n",
@@ -1077,13 +1083,13 @@
   {
    "cell_type": "code",
    "execution_count": 15,
-   "id": "6c2133ea",
+   "id": "433ca1af",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:25.957736Z",
-     "iopub.status.busy": "2026-08-03T06:21:25.957656Z",
-     "iopub.status.idle": "2026-08-03T06:21:26.124216Z",
-     "shell.execute_reply": "2026-08-03T06:21:26.123561Z"
+     "iopub.execute_input": "2026-08-04T13:19:38.129758Z",
+     "iopub.status.busy": "2026-08-04T13:19:38.129661Z",
+     "iopub.status.idle": "2026-08-04T13:19:38.481110Z",
+     "shell.execute_reply": "2026-08-04T13:19:38.480702Z"
     }
    },
    "outputs": [
@@ -1182,7 +1188,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "ed5d2df1",
+   "id": "536ab6ce",
    "metadata": {},
    "source": [
     "Three rows, three different answers, none of them small.\n",
@@ -1211,13 +1217,13 @@
   {
    "cell_type": "code",
    "execution_count": 16,
-   "id": "bea9b529",
+   "id": "796a13cc",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:26.125294Z",
-     "iopub.status.busy": "2026-08-03T06:21:26.125169Z",
-     "iopub.status.idle": "2026-08-03T06:21:26.127496Z",
-     "shell.execute_reply": "2026-08-03T06:21:26.127168Z"
+     "iopub.execute_input": "2026-08-04T13:19:38.482088Z",
+     "iopub.status.busy": "2026-08-04T13:19:38.481990Z",
+     "iopub.status.idle": "2026-08-04T13:19:38.484322Z",
+     "shell.execute_reply": "2026-08-04T13:19:38.484003Z"
     }
    },
    "outputs": [
@@ -1245,7 +1251,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "89bfefa7",
+   "id": "a262d933",
    "metadata": {},
    "source": [
     "### What it would cost, and whether you could get it\n",
@@ -1257,13 +1263,13 @@
   {
    "cell_type": "code",
    "execution_count": 17,
-   "id": "3ccc8111",
+   "id": "c118e859",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:26.128225Z",
-     "iopub.status.busy": "2026-08-03T06:21:26.128140Z",
-     "iopub.status.idle": "2026-08-03T06:21:26.626209Z",
-     "shell.execute_reply": "2026-08-03T06:21:26.625783Z"
+     "iopub.execute_input": "2026-08-04T13:19:38.485168Z",
+     "iopub.status.busy": "2026-08-04T13:19:38.485080Z",
+     "iopub.status.idle": "2026-08-04T13:19:39.371998Z",
+     "shell.execute_reply": "2026-08-04T13:19:39.371502Z"
     }
    },
    "outputs": [
@@ -1346,7 +1352,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a91d692c",
+   "id": "1df890e8",
    "metadata": {},
    "source": [
     "`cost_per_kg` is raw-material cost from elemental prices — not synthesis, not\n",
@@ -1366,13 +1372,13 @@
   {
    "cell_type": "code",
    "execution_count": 18,
-   "id": "ae35e3b8",
+   "id": "ab4fa43a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:26.627218Z",
-     "iopub.status.busy": "2026-08-03T06:21:26.627120Z",
-     "iopub.status.idle": "2026-08-03T06:21:26.653765Z",
-     "shell.execute_reply": "2026-08-03T06:21:26.653410Z"
+     "iopub.execute_input": "2026-08-04T13:19:39.373194Z",
+     "iopub.status.busy": "2026-08-04T13:19:39.373091Z",
+     "iopub.status.idle": "2026-08-04T13:19:39.428821Z",
+     "shell.execute_reply": "2026-08-04T13:19:39.428435Z"
     }
    },
    "outputs": [
@@ -1394,7 +1400,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "085ba449",
+   "id": "bcf830ba",
    "metadata": {},
    "source": [
     "And since the diffraction pattern is on the same grid convention, a neutron\n",
@@ -1405,7 +1411,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a75ab999",
+   "id": "bc3f4acf",
    "metadata": {},
    "source": [
     "### Stable, and stable *when*\n",
@@ -1418,13 +1424,13 @@
   {
    "cell_type": "code",
    "execution_count": 19,
-   "id": "e425e292",
+   "id": "9719925d",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:26.654595Z",
-     "iopub.status.busy": "2026-08-03T06:21:26.654507Z",
-     "iopub.status.idle": "2026-08-03T06:21:26.738558Z",
-     "shell.execute_reply": "2026-08-03T06:21:26.738167Z"
+     "iopub.execute_input": "2026-08-04T13:19:39.430611Z",
+     "iopub.status.busy": "2026-08-04T13:19:39.430482Z",
+     "iopub.status.idle": "2026-08-04T13:19:39.532740Z",
+     "shell.execute_reply": "2026-08-04T13:19:39.532018Z"
     }
    },
    "outputs": [
@@ -1518,7 +1524,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "fa6c39d0",
+   "id": "73afe57f",
    "metadata": {},
    "source": [
     "`chempot_window` is the extent of the region in chemical potential space where\n",
@@ -1550,13 +1556,13 @@
   {
    "cell_type": "code",
    "execution_count": 20,
-   "id": "ac79090d",
+   "id": "67d81663",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:26.739394Z",
-     "iopub.status.busy": "2026-08-03T06:21:26.739307Z",
-     "iopub.status.idle": "2026-08-03T06:21:26.741688Z",
-     "shell.execute_reply": "2026-08-03T06:21:26.741377Z"
+     "iopub.execute_input": "2026-08-04T13:19:39.533951Z",
+     "iopub.status.busy": "2026-08-04T13:19:39.533833Z",
+     "iopub.status.idle": "2026-08-04T13:19:39.537816Z",
+     "shell.execute_reply": "2026-08-04T13:19:39.537299Z"
     }
    },
    "outputs": [
@@ -1578,7 +1584,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "fbb2810c",
+   "id": "6ed4b248",
    "metadata": {},
    "source": [
     "It refuses without a key, and the message says why rather than returning zeros.\n",
@@ -1591,7 +1597,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "83415dce",
+   "id": "79af11b2",
    "metadata": {},
    "source": [
     "Ask for something light and not too far above the hull — two criteria that pull\n",
@@ -1601,13 +1607,13 @@
   {
    "cell_type": "code",
    "execution_count": 21,
-   "id": "06581895",
+   "id": "133c152f",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:26.742439Z",
-     "iopub.status.busy": "2026-08-03T06:21:26.742355Z",
-     "iopub.status.idle": "2026-08-03T06:21:26.744920Z",
-     "shell.execute_reply": "2026-08-03T06:21:26.744595Z"
+     "iopub.execute_input": "2026-08-04T13:19:39.539246Z",
+     "iopub.status.busy": "2026-08-04T13:19:39.539116Z",
+     "iopub.status.idle": "2026-08-04T13:19:39.543177Z",
+     "shell.execute_reply": "2026-08-04T13:19:39.542626Z"
     }
    },
    "outputs": [
@@ -1633,13 +1639,13 @@
   {
    "cell_type": "code",
    "execution_count": 22,
-   "id": "2f0f711a",
+   "id": "df3dbaf2",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:26.745585Z",
-     "iopub.status.busy": "2026-08-03T06:21:26.745503Z",
-     "iopub.status.idle": "2026-08-03T06:21:26.750149Z",
-     "shell.execute_reply": "2026-08-03T06:21:26.749813Z"
+     "iopub.execute_input": "2026-08-04T13:19:39.544134Z",
+     "iopub.status.busy": "2026-08-04T13:19:39.544030Z",
+     "iopub.status.idle": "2026-08-04T13:19:39.550531Z",
+     "shell.execute_reply": "2026-08-04T13:19:39.549915Z"
     }
    },
    "outputs": [
@@ -1747,13 +1753,13 @@
   {
    "cell_type": "code",
    "execution_count": 23,
-   "id": "bed57d97",
+   "id": "40186e8d",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:26.750827Z",
-     "iopub.status.busy": "2026-08-03T06:21:26.750744Z",
-     "iopub.status.idle": "2026-08-03T06:21:26.881571Z",
-     "shell.execute_reply": "2026-08-03T06:21:26.881148Z"
+     "iopub.execute_input": "2026-08-04T13:19:39.551668Z",
+     "iopub.status.busy": "2026-08-04T13:19:39.551534Z",
+     "iopub.status.idle": "2026-08-04T13:19:39.919675Z",
+     "shell.execute_reply": "2026-08-04T13:19:39.918954Z"
     }
    },
    "outputs": [
@@ -1793,7 +1799,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "33c85a5a",
+   "id": "cf7bd9fd",
    "metadata": {},
    "source": [
     "Cu and Ni sit at zero and are still grey — they failed on density, not on\n",
@@ -1804,7 +1810,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a7d0b5ca",
+   "id": "d04a873c",
    "metadata": {},
    "source": [
     "The screen deposits a boolean column and the criteria that produced it. It does\n",
@@ -1821,13 +1827,13 @@
   {
    "cell_type": "code",
    "execution_count": 24,
-   "id": "0548854e",
+   "id": "dd9ed6ee",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:26.882435Z",
-     "iopub.status.busy": "2026-08-03T06:21:26.882346Z",
-     "iopub.status.idle": "2026-08-03T06:21:26.888596Z",
-     "shell.execute_reply": "2026-08-03T06:21:26.888235Z"
+     "iopub.execute_input": "2026-08-04T13:19:39.920923Z",
+     "iopub.status.busy": "2026-08-04T13:19:39.920784Z",
+     "iopub.status.idle": "2026-08-04T13:19:39.929468Z",
+     "shell.execute_reply": "2026-08-04T13:19:39.928985Z"
     }
    },
    "outputs": [
@@ -1944,7 +1950,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "c786a489",
+   "id": "112df8b3",
    "metadata": {},
    "source": [
     "`pareto_rank` keeps the second-best trade-offs reachable instead of discarding\n",
@@ -1956,13 +1962,13 @@
   {
    "cell_type": "code",
    "execution_count": 25,
-   "id": "729d139f",
+   "id": "47824914",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:26.889555Z",
-     "iopub.status.busy": "2026-08-03T06:21:26.889468Z",
-     "iopub.status.idle": "2026-08-03T06:21:26.894562Z",
-     "shell.execute_reply": "2026-08-03T06:21:26.894211Z"
+     "iopub.execute_input": "2026-08-04T13:19:39.930637Z",
+     "iopub.status.busy": "2026-08-04T13:19:39.930519Z",
+     "iopub.status.idle": "2026-08-04T13:19:39.937068Z",
+     "shell.execute_reply": "2026-08-04T13:19:39.936631Z"
     }
    },
    "outputs": [
@@ -2062,7 +2068,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "3858c959",
+   "id": "04b5b2af",
    "metadata": {},
    "source": [
     "## Is the reaction downhill?\n",
@@ -2075,13 +2081,13 @@
   {
    "cell_type": "code",
    "execution_count": 26,
-   "id": "4ac41c8e",
+   "id": "86dbcd52",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:26.895331Z",
-     "iopub.status.busy": "2026-08-03T06:21:26.895251Z",
-     "iopub.status.idle": "2026-08-03T06:21:26.898547Z",
-     "shell.execute_reply": "2026-08-03T06:21:26.898188Z"
+     "iopub.execute_input": "2026-08-04T13:19:39.940179Z",
+     "iopub.status.busy": "2026-08-04T13:19:39.940045Z",
+     "iopub.status.idle": "2026-08-04T13:19:39.947663Z",
+     "shell.execute_reply": "2026-08-04T13:19:39.945328Z"
     }
    },
    "outputs": [
@@ -2108,7 +2114,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "671d91d4",
+   "id": "1464bc20",
    "metadata": {},
    "source": [
     "`favourable: False` and a positive energy — EMT again saying no intermetallic is\n",
@@ -2120,13 +2126,13 @@
   {
    "cell_type": "code",
    "execution_count": 27,
-   "id": "dbbbf8ed",
+   "id": "4b39d7db",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:26.899263Z",
-     "iopub.status.busy": "2026-08-03T06:21:26.899175Z",
-     "iopub.status.idle": "2026-08-03T06:21:27.016440Z",
-     "shell.execute_reply": "2026-08-03T06:21:27.016040Z"
+     "iopub.execute_input": "2026-08-04T13:19:39.948778Z",
+     "iopub.status.busy": "2026-08-04T13:19:39.948664Z",
+     "iopub.status.idle": "2026-08-04T13:19:40.075309Z",
+     "shell.execute_reply": "2026-08-04T13:19:40.074826Z"
     }
    },
    "outputs": [
@@ -2163,7 +2169,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "0fd1dda9",
+   "id": "c70b5710",
    "metadata": {},
    "source": [
     "## What the object remembers"
@@ -2172,13 +2178,13 @@
   {
    "cell_type": "code",
    "execution_count": 28,
-   "id": "e3fbd0c9",
+   "id": "11290e35",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:27.017657Z",
-     "iopub.status.busy": "2026-08-03T06:21:27.017565Z",
-     "iopub.status.idle": "2026-08-03T06:21:27.019784Z",
-     "shell.execute_reply": "2026-08-03T06:21:27.019341Z"
+     "iopub.execute_input": "2026-08-04T13:19:40.076652Z",
+     "iopub.status.busy": "2026-08-04T13:19:40.076520Z",
+     "iopub.status.idle": "2026-08-04T13:19:40.079835Z",
+     "shell.execute_reply": "2026-08-04T13:19:40.079186Z"
     }
    },
    "outputs": [
@@ -2209,13 +2215,13 @@
   {
    "cell_type": "code",
    "execution_count": 29,
-   "id": "973dfa2e",
+   "id": "850190de",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:21:27.020605Z",
-     "iopub.status.busy": "2026-08-03T06:21:27.020519Z",
-     "iopub.status.idle": "2026-08-03T06:21:27.198024Z",
-     "shell.execute_reply": "2026-08-03T06:21:27.197487Z"
+     "iopub.execute_input": "2026-08-04T13:19:40.081452Z",
+     "iopub.status.busy": "2026-08-04T13:19:40.081334Z",
+     "iopub.status.idle": "2026-08-04T13:19:40.269137Z",
+     "shell.execute_reply": "2026-08-04T13:19:40.267772Z"
     }
    },
    "outputs": [
@@ -2241,7 +2247,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "fceefcd2",
+   "id": "e65464f1",
    "metadata": {},
    "source": [
     "Parameters are recorded with each call, so the history replays as code rather\n",
diff --git a/matverse_guide/docs/tutorials/structure_and_bands.ipynb b/matverse_guide/docs/tutorials/structure_and_bands.ipynb
index 681b24f..74e2fcb 100644
--- a/matverse_guide/docs/tutorials/structure_and_bands.ipynb
+++ b/matverse_guide/docs/tutorials/structure_and_bands.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "cbd4fd80",
+   "id": "0b4306fe",
    "metadata": {},
    "source": [
     "# Local environments and electronic structure\n",
@@ -26,13 +26,13 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "2e0f6bd0",
+   "id": "e0637239",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:27.513279Z",
-     "iopub.status.busy": "2026-08-03T06:24:27.513186Z",
-     "iopub.status.idle": "2026-08-03T06:24:30.740927Z",
-     "shell.execute_reply": "2026-08-03T06:24:30.740484Z"
+     "iopub.execute_input": "2026-08-04T13:23:28.471617Z",
+     "iopub.status.busy": "2026-08-04T13:23:28.471535Z",
+     "iopub.status.idle": "2026-08-04T13:23:34.290982Z",
+     "shell.execute_reply": "2026-08-04T13:23:34.290448Z"
     }
    },
    "outputs": [
@@ -40,20 +40,26 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "🔬 Starting plot initialization...\n",
-      "🧪 Calculators available: 6\n",
-      "    • emt — EMT (LGPL-2.1)\n",
-      "    • lj — Lennard-Jones (LGPL-2.1)\n",
-      "    • mace-mpa — mace-mpa (unstated)\n",
-      "    • mace-omat — mace-omat (unstated)\n",
-      "    • sevennet — sevennet (unstated)\n",
-      "    • chgnet — chgnet (unstated)\n"
+      "🔬 Starting plot initialization...\n"
      ]
     },
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
+      "🧪 Calculators available: 12\n",
+      "    • emt — EMT (LGPL-2.1)\n",
+      "    • lj — Lennard-Jones (LGPL-2.1)\n",
+      "    • mace-mpa — mace-mpa (unstated)\n",
+      "    • mace-omat — mace-omat (unstated)\n",
+      "    • sevennet — sevennet (unstated)\n",
+      "    • chgnet — chgnet (unstated)\n",
+      "    • m3gnet — M3GNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • m3gnet-r2scan — M3GNet-PES-MatPES-r2SCAN-2025.2 (BSD-3-Clause)\n",
+      "    • tensornet — TensorNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • orb — ORB v3 conservative (Apache-2.0)\n",
+      "    • gpaw-pbe — GPAW PBE, PW(500 eV) (GPL-3.0)\n",
+      "    • gpaw-pbe-fast — GPAW PBE, PW(400 eV) (GPL-3.0)\n",
       "🖥️ NVIDIA CUDA GPUs: 1\n",
       "    • [CUDA 0] NVIDIA H100 80GB HBM3 — 79.1 GB, compute 9.0\n",
       "\n",
@@ -63,7 +69,7 @@
       " / / / / / / /_/ / /_ | |/ /  __/ /  (__  )  __/\n",
       "/_/ /_/ /_/\\__,_/\\__/ |___/\\___/_/  /____/\\___/\n",
       "\n",
-      "🔖 Version: 0.1.71   🧮 Functions: 213   📚 Tutorials: https://matverse.readthedocs.io/\n",
+      "🔖 Version: 0.1.71   🧮 Functions: 214   📚 Tutorials: https://matverse.readthedocs.io/\n",
       "✅ set_style complete.\n",
       "\n"
      ]
@@ -79,7 +85,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b104b51b",
+   "id": "ff3650f2",
    "metadata": {},
    "source": [
     "That report is the point of `mv.pl.set_style` doing more than set rcParams:\n",
@@ -98,13 +104,13 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "54df3730",
+   "id": "6c8f8e12",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:30.742060Z",
-     "iopub.status.busy": "2026-08-03T06:24:30.741769Z",
-     "iopub.status.idle": "2026-08-03T06:24:30.825517Z",
-     "shell.execute_reply": "2026-08-03T06:24:30.825015Z"
+     "iopub.execute_input": "2026-08-04T13:23:34.292784Z",
+     "iopub.status.busy": "2026-08-04T13:23:34.292325Z",
+     "iopub.status.idle": "2026-08-04T13:23:34.404978Z",
+     "shell.execute_reply": "2026-08-04T13:23:34.404408Z"
     }
    },
    "outputs": [
@@ -166,7 +172,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "0193a88b",
+   "id": "87c73468",
    "metadata": {},
    "source": [
     "## Coordination: the sites axis again\n",
@@ -178,13 +184,13 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "77195761",
+   "id": "8a085a1c",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:30.826582Z",
-     "iopub.status.busy": "2026-08-03T06:24:30.826418Z",
-     "iopub.status.idle": "2026-08-03T06:24:31.597348Z",
-     "shell.execute_reply": "2026-08-03T06:24:31.596899Z"
+     "iopub.execute_input": "2026-08-04T13:23:34.406368Z",
+     "iopub.status.busy": "2026-08-04T13:23:34.406227Z",
+     "iopub.status.idle": "2026-08-04T13:23:35.424829Z",
+     "shell.execute_reply": "2026-08-04T13:23:35.424383Z"
     }
    },
    "outputs": [
@@ -214,7 +220,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "242098de",
+   "id": "a8abbc5f",
    "metadata": {},
    "source": [
     "**Li 6, Fe 6, P 4, O 4** — the published olivine coordination, recovered from\n",
@@ -229,13 +235,13 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "298fa4b6",
+   "id": "0cd51811",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:31.598279Z",
-     "iopub.status.busy": "2026-08-03T06:24:31.598172Z",
-     "iopub.status.idle": "2026-08-03T06:24:31.600394Z",
-     "shell.execute_reply": "2026-08-03T06:24:31.600069Z"
+     "iopub.execute_input": "2026-08-04T13:23:35.425956Z",
+     "iopub.status.busy": "2026-08-04T13:23:35.425812Z",
+     "iopub.status.idle": "2026-08-04T13:23:35.429474Z",
+     "shell.execute_reply": "2026-08-04T13:23:35.428626Z"
     }
    },
    "outputs": [
@@ -261,13 +267,13 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "8521bcc0",
+   "id": "8d20ff6a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:31.601134Z",
-     "iopub.status.busy": "2026-08-03T06:24:31.600995Z",
-     "iopub.status.idle": "2026-08-03T06:24:31.653681Z",
-     "shell.execute_reply": "2026-08-03T06:24:31.653257Z"
+     "iopub.execute_input": "2026-08-04T13:23:35.430720Z",
+     "iopub.status.busy": "2026-08-04T13:23:35.430592Z",
+     "iopub.status.idle": "2026-08-04T13:23:35.489924Z",
+     "shell.execute_reply": "2026-08-04T13:23:35.488594Z"
     }
    },
    "outputs": [
@@ -354,7 +360,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "3bf70b8b",
+   "id": "dd5bf332",
    "metadata": {},
    "source": [
     "## A number is not a shape\n",
@@ -369,13 +375,13 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "90642d2b",
+   "id": "10beb6d2",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:31.654535Z",
-     "iopub.status.busy": "2026-08-03T06:24:31.654447Z",
-     "iopub.status.idle": "2026-08-03T06:24:32.363537Z",
-     "shell.execute_reply": "2026-08-03T06:24:32.363113Z"
+     "iopub.execute_input": "2026-08-04T13:23:35.491191Z",
+     "iopub.status.busy": "2026-08-04T13:23:35.491055Z",
+     "iopub.status.idle": "2026-08-04T13:23:36.213860Z",
+     "shell.execute_reply": "2026-08-04T13:23:36.213430Z"
     }
    },
    "outputs": [
@@ -512,13 +518,13 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "80d81c37",
+   "id": "85df05c8",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:32.364450Z",
-     "iopub.status.busy": "2026-08-03T06:24:32.364364Z",
-     "iopub.status.idle": "2026-08-03T06:24:32.367797Z",
-     "shell.execute_reply": "2026-08-03T06:24:32.367449Z"
+     "iopub.execute_input": "2026-08-04T13:23:36.214874Z",
+     "iopub.status.busy": "2026-08-04T13:23:36.214769Z",
+     "iopub.status.idle": "2026-08-04T13:23:36.219382Z",
+     "shell.execute_reply": "2026-08-04T13:23:36.218874Z"
     }
    },
    "outputs": [
@@ -545,7 +551,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "5b43c757",
+   "id": "2e42789a",
    "metadata": {},
    "source": [
     "This is the structural story of an olivine cathode, in one column.\n",
@@ -562,13 +568,13 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "835cdd8e",
+   "id": "83abf95d",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:32.368482Z",
-     "iopub.status.busy": "2026-08-03T06:24:32.368400Z",
-     "iopub.status.idle": "2026-08-03T06:24:32.462540Z",
-     "shell.execute_reply": "2026-08-03T06:24:32.462136Z"
+     "iopub.execute_input": "2026-08-04T13:23:36.220386Z",
+     "iopub.status.busy": "2026-08-04T13:23:36.220229Z",
+     "iopub.status.idle": "2026-08-04T13:23:36.321738Z",
+     "shell.execute_reply": "2026-08-04T13:23:36.321323Z"
     }
    },
    "outputs": [
@@ -611,7 +617,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "3c22a419",
+   "id": "676d7b1f",
    "metadata": {},
    "source": [
     "## The bond network belongs in `obsp`\n",
@@ -624,13 +630,13 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "fc43b753",
+   "id": "613421f8",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:32.463398Z",
-     "iopub.status.busy": "2026-08-03T06:24:32.463308Z",
-     "iopub.status.idle": "2026-08-03T06:24:32.621902Z",
-     "shell.execute_reply": "2026-08-03T06:24:32.621500Z"
+     "iopub.execute_input": "2026-08-04T13:23:36.323130Z",
+     "iopub.status.busy": "2026-08-04T13:23:36.323022Z",
+     "iopub.status.idle": "2026-08-04T13:23:36.487431Z",
+     "shell.execute_reply": "2026-08-04T13:23:36.486984Z"
     }
    },
    "outputs": [
@@ -654,13 +660,13 @@
   {
    "cell_type": "code",
    "execution_count": 10,
-   "id": "8c82b8ce",
+   "id": "707bed1d",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:32.622739Z",
-     "iopub.status.busy": "2026-08-03T06:24:32.622650Z",
-     "iopub.status.idle": "2026-08-03T06:24:32.625197Z",
-     "shell.execute_reply": "2026-08-03T06:24:32.624875Z"
+     "iopub.execute_input": "2026-08-04T13:23:36.488658Z",
+     "iopub.status.busy": "2026-08-04T13:23:36.488398Z",
+     "iopub.status.idle": "2026-08-04T13:23:36.491667Z",
+     "shell.execute_reply": "2026-08-04T13:23:36.491278Z"
     }
    },
    "outputs": [
@@ -682,7 +688,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "4d83ca03",
+   "id": "bdb20000",
    "metadata": {},
    "source": [
     "The degree of the graph is the coordination number, which it had better be.\n",
@@ -699,13 +705,13 @@
   {
    "cell_type": "code",
    "execution_count": 11,
-   "id": "83725beb",
+   "id": "286b9827",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:32.625889Z",
-     "iopub.status.busy": "2026-08-03T06:24:32.625808Z",
-     "iopub.status.idle": "2026-08-03T06:24:32.631437Z",
-     "shell.execute_reply": "2026-08-03T06:24:32.631116Z"
+     "iopub.execute_input": "2026-08-04T13:23:36.492825Z",
+     "iopub.status.busy": "2026-08-04T13:23:36.492691Z",
+     "iopub.status.idle": "2026-08-04T13:23:36.499231Z",
+     "shell.execute_reply": "2026-08-04T13:23:36.498745Z"
     }
    },
    "outputs": [
@@ -773,13 +779,13 @@
   {
    "cell_type": "code",
    "execution_count": 12,
-   "id": "01199c73",
+   "id": "5bf195a2",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:32.632142Z",
-     "iopub.status.busy": "2026-08-03T06:24:32.632061Z",
-     "iopub.status.idle": "2026-08-03T06:24:32.636295Z",
-     "shell.execute_reply": "2026-08-03T06:24:32.635969Z"
+     "iopub.execute_input": "2026-08-04T13:23:36.500229Z",
+     "iopub.status.busy": "2026-08-04T13:23:36.500126Z",
+     "iopub.status.idle": "2026-08-04T13:23:36.505180Z",
+     "shell.execute_reply": "2026-08-04T13:23:36.504747Z"
     }
    },
    "outputs": [
@@ -835,7 +841,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "0d1bc656",
+   "id": "b68716b9",
    "metadata": {},
    "source": [
     "`coordination_spread` is the one worth screening on: zero means every atom sits\n",
@@ -852,13 +858,13 @@
   {
    "cell_type": "code",
    "execution_count": 13,
-   "id": "62379927",
+   "id": "608623a6",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:32.636983Z",
-     "iopub.status.busy": "2026-08-03T06:24:32.636903Z",
-     "iopub.status.idle": "2026-08-03T06:24:33.403015Z",
-     "shell.execute_reply": "2026-08-03T06:24:33.402532Z"
+     "iopub.execute_input": "2026-08-04T13:23:36.506086Z",
+     "iopub.status.busy": "2026-08-04T13:23:36.505989Z",
+     "iopub.status.idle": "2026-08-04T13:23:37.180416Z",
+     "shell.execute_reply": "2026-08-04T13:23:37.179889Z"
     }
    },
    "outputs": [
@@ -924,7 +930,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "3714194d",
+   "id": "679aeb27",
    "metadata": {},
    "source": [
     "For an ion conductor this is the question. A framework whose octahedra share\n",
@@ -960,13 +966,13 @@
   {
    "cell_type": "code",
    "execution_count": 14,
-   "id": "195dc33f",
+   "id": "368b7486",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:33.403967Z",
-     "iopub.status.busy": "2026-08-03T06:24:33.403877Z",
-     "iopub.status.idle": "2026-08-03T06:24:33.566582Z",
-     "shell.execute_reply": "2026-08-03T06:24:33.566120Z"
+     "iopub.execute_input": "2026-08-04T13:23:37.181666Z",
+     "iopub.status.busy": "2026-08-04T13:23:37.181480Z",
+     "iopub.status.idle": "2026-08-04T13:23:37.353740Z",
+     "shell.execute_reply": "2026-08-04T13:23:37.352634Z"
     }
    },
    "outputs": [
@@ -1064,7 +1070,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "275fbb93",
+   "id": "fd9954a5",
    "metadata": {},
    "source": [
     "Graphite 2D, diamond 3D, MoS2 2D — and `n_components` counts two layers per\n",
@@ -1079,13 +1085,13 @@
   {
    "cell_type": "code",
    "execution_count": 15,
-   "id": "d29da94d",
+   "id": "7ae7f360",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:33.567484Z",
-     "iopub.status.busy": "2026-08-03T06:24:33.567393Z",
-     "iopub.status.idle": "2026-08-03T06:24:33.571802Z",
-     "shell.execute_reply": "2026-08-03T06:24:33.571443Z"
+     "iopub.execute_input": "2026-08-04T13:23:37.354855Z",
+     "iopub.status.busy": "2026-08-04T13:23:37.354717Z",
+     "iopub.status.idle": "2026-08-04T13:23:37.360197Z",
+     "shell.execute_reply": "2026-08-04T13:23:37.359699Z"
     }
    },
    "outputs": [
@@ -1157,7 +1163,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "077acc01",
+   "id": "98ee029c",
    "metadata": {},
    "source": [
     "`dimensionality_strategy` is recorded next to the answer for the same reason\n",
@@ -1176,13 +1182,13 @@
   {
    "cell_type": "code",
    "execution_count": 16,
-   "id": "e889287d",
+   "id": "1e1c242a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:33.572537Z",
-     "iopub.status.busy": "2026-08-03T06:24:33.572456Z",
-     "iopub.status.idle": "2026-08-03T06:24:33.636034Z",
-     "shell.execute_reply": "2026-08-03T06:24:33.635627Z"
+     "iopub.execute_input": "2026-08-04T13:23:37.361421Z",
+     "iopub.status.busy": "2026-08-04T13:23:37.361281Z",
+     "iopub.status.idle": "2026-08-04T13:23:37.428793Z",
+     "shell.execute_reply": "2026-08-04T13:23:37.428295Z"
     }
    },
    "outputs": [
@@ -1253,7 +1259,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "ad42f10f",
+   "id": "736944c2",
    "metadata": {},
    "source": [
     "Γ–X–W–K–L–U, the standard fcc path. Note that Cu and Al get **different numbers\n",
@@ -1279,13 +1285,13 @@
   {
    "cell_type": "code",
    "execution_count": 17,
-   "id": "d5b30f62",
+   "id": "c83124c1",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:33.637012Z",
-     "iopub.status.busy": "2026-08-03T06:24:33.636926Z",
-     "iopub.status.idle": "2026-08-03T06:24:33.679651Z",
-     "shell.execute_reply": "2026-08-03T06:24:33.679165Z"
+     "iopub.execute_input": "2026-08-04T13:23:37.430263Z",
+     "iopub.status.busy": "2026-08-04T13:23:37.430132Z",
+     "iopub.status.idle": "2026-08-04T13:23:37.473738Z",
+     "shell.execute_reply": "2026-08-04T13:23:37.473272Z"
     }
    },
    "outputs": [
@@ -1333,7 +1339,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "d60be111",
+   "id": "6279b590",
    "metadata": {},
    "source": [
     "**Bands × k-points.** One row per band per spin per material, energies along a\n",
@@ -1344,13 +1350,13 @@
   {
    "cell_type": "code",
    "execution_count": 18,
-   "id": "29642c16",
+   "id": "ee5cfde8",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:33.680583Z",
-     "iopub.status.busy": "2026-08-03T06:24:33.680438Z",
-     "iopub.status.idle": "2026-08-03T06:24:33.686930Z",
-     "shell.execute_reply": "2026-08-03T06:24:33.686468Z"
+     "iopub.execute_input": "2026-08-04T13:23:37.475090Z",
+     "iopub.status.busy": "2026-08-04T13:23:37.474966Z",
+     "iopub.status.idle": "2026-08-04T13:23:37.482078Z",
+     "shell.execute_reply": "2026-08-04T13:23:37.481359Z"
     }
    },
    "outputs": [
@@ -1504,13 +1510,13 @@
   {
    "cell_type": "code",
    "execution_count": 19,
-   "id": "926f1e79",
+   "id": "de271043",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:33.687943Z",
-     "iopub.status.busy": "2026-08-03T06:24:33.687836Z",
-     "iopub.status.idle": "2026-08-03T06:24:33.691505Z",
-     "shell.execute_reply": "2026-08-03T06:24:33.691084Z"
+     "iopub.execute_input": "2026-08-04T13:23:37.484273Z",
+     "iopub.status.busy": "2026-08-04T13:23:37.484097Z",
+     "iopub.status.idle": "2026-08-04T13:23:37.488364Z",
+     "shell.execute_reply": "2026-08-04T13:23:37.487893Z"
     }
    },
    "outputs": [
@@ -1583,7 +1589,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b394ade5",
+   "id": "c6544b2d",
    "metadata": {},
    "source": [
     "Two things about the axis are worth reading carefully.\n",
@@ -1602,13 +1608,13 @@
   {
    "cell_type": "code",
    "execution_count": 20,
-   "id": "15214bdd",
+   "id": "d996c603",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:33.692267Z",
-     "iopub.status.busy": "2026-08-03T06:24:33.692174Z",
-     "iopub.status.idle": "2026-08-03T06:24:33.857613Z",
-     "shell.execute_reply": "2026-08-03T06:24:33.857222Z"
+     "iopub.execute_input": "2026-08-04T13:23:37.489760Z",
+     "iopub.status.busy": "2026-08-04T13:23:37.489623Z",
+     "iopub.status.idle": "2026-08-04T13:23:37.684349Z",
+     "shell.execute_reply": "2026-08-04T13:23:37.683794Z"
     }
    },
    "outputs": [
@@ -1645,7 +1651,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "c85b045a",
+   "id": "0a38a5bc",
    "metadata": {},
    "source": [
     "## What the bands say\n",
@@ -1657,13 +1663,13 @@
   {
    "cell_type": "code",
    "execution_count": 21,
-   "id": "87aba324",
+   "id": "439f307e",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:33.858692Z",
-     "iopub.status.busy": "2026-08-03T06:24:33.858600Z",
-     "iopub.status.idle": "2026-08-03T06:24:33.865469Z",
-     "shell.execute_reply": "2026-08-03T06:24:33.865034Z"
+     "iopub.execute_input": "2026-08-04T13:23:37.685952Z",
+     "iopub.status.busy": "2026-08-04T13:23:37.685786Z",
+     "iopub.status.idle": "2026-08-04T13:23:37.695373Z",
+     "shell.execute_reply": "2026-08-04T13:23:37.694915Z"
     }
    },
    "outputs": [
@@ -1742,7 +1748,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "2f3dd0d8",
+   "id": "18b8f39c",
    "metadata": {},
    "source": [
     "Metals, gap zero. Correct: two of the four bands cross the Fermi level, and a\n",
@@ -1755,13 +1761,13 @@
   {
    "cell_type": "code",
    "execution_count": 22,
-   "id": "e8876f22",
+   "id": "eb15b738",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:33.866399Z",
-     "iopub.status.busy": "2026-08-03T06:24:33.866311Z",
-     "iopub.status.idle": "2026-08-03T06:24:33.912386Z",
-     "shell.execute_reply": "2026-08-03T06:24:33.911927Z"
+     "iopub.execute_input": "2026-08-04T13:23:37.696510Z",
+     "iopub.status.busy": "2026-08-04T13:23:37.696373Z",
+     "iopub.status.idle": "2026-08-04T13:23:37.745332Z",
+     "shell.execute_reply": "2026-08-04T13:23:37.744750Z"
     }
    },
    "outputs": [
@@ -1856,7 +1862,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "98b5aefc",
+   "id": "513dc54c",
    "metadata": {},
    "source": [
     "1.70 eV, which is exactly what the model was built with, and **direct** —\n",
@@ -1923,13 +1929,13 @@
   {
    "cell_type": "code",
    "execution_count": 23,
-   "id": "fac9f8a6",
+   "id": "97068b54",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:33.913294Z",
-     "iopub.status.busy": "2026-08-03T06:24:33.913147Z",
-     "iopub.status.idle": "2026-08-03T06:24:34.005275Z",
-     "shell.execute_reply": "2026-08-03T06:24:34.004832Z"
+     "iopub.execute_input": "2026-08-04T13:23:37.746461Z",
+     "iopub.status.busy": "2026-08-04T13:23:37.746321Z",
+     "iopub.status.idle": "2026-08-04T13:23:38.036077Z",
+     "shell.execute_reply": "2026-08-04T13:23:38.035467Z"
     }
    },
    "outputs": [
@@ -1950,7 +1956,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "fbe11da3",
+   "id": "2d67a2f8",
    "metadata": {},
    "source": [
     "It names the install rather than returning zeros — and the docstring says why\n",
@@ -1965,13 +1971,13 @@
   {
    "cell_type": "code",
    "execution_count": 24,
-   "id": "dc2505a1",
+   "id": "4ef40be3",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:34.006398Z",
-     "iopub.status.busy": "2026-08-03T06:24:34.006036Z",
-     "iopub.status.idle": "2026-08-03T06:24:34.008247Z",
-     "shell.execute_reply": "2026-08-03T06:24:34.007903Z"
+     "iopub.execute_input": "2026-08-04T13:23:38.038066Z",
+     "iopub.status.busy": "2026-08-04T13:23:38.037486Z",
+     "iopub.status.idle": "2026-08-04T13:23:38.041032Z",
+     "shell.execute_reply": "2026-08-04T13:23:38.040309Z"
     }
    },
    "outputs": [
@@ -1993,7 +1999,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "c7919fde",
+   "id": "6216cdaa",
    "metadata": {},
    "source": [
     "```{seealso}\n",
@@ -2006,7 +2012,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "5f315b45",
+   "id": "41364b19",
    "metadata": {},
    "source": [
     "## How sure is a coordination number?\n",
@@ -2022,13 +2028,13 @@
   {
    "cell_type": "code",
    "execution_count": 25,
-   "id": "a2031e63",
+   "id": "8f0b259f",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:34.008997Z",
-     "iopub.status.busy": "2026-08-03T06:24:34.008910Z",
-     "iopub.status.idle": "2026-08-03T06:24:34.481398Z",
-     "shell.execute_reply": "2026-08-03T06:24:34.480971Z"
+     "iopub.execute_input": "2026-08-04T13:23:38.042220Z",
+     "iopub.status.busy": "2026-08-04T13:23:38.042084Z",
+     "iopub.status.idle": "2026-08-04T13:23:38.532730Z",
+     "shell.execute_reply": "2026-08-04T13:23:38.532168Z"
     }
    },
    "outputs": [
@@ -2173,7 +2179,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "b5706501",
+   "id": "0b739882",
    "metadata": {},
    "source": [
     "Sodium gets six faces and six neighbours, every weight 1.0 — nothing to decide.\n",
@@ -2191,13 +2197,13 @@
   {
    "cell_type": "code",
    "execution_count": 26,
-   "id": "095e0357",
+   "id": "9540dd12",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:34.482275Z",
-     "iopub.status.busy": "2026-08-03T06:24:34.482182Z",
-     "iopub.status.idle": "2026-08-03T06:24:34.506989Z",
-     "shell.execute_reply": "2026-08-03T06:24:34.506581Z"
+     "iopub.execute_input": "2026-08-04T13:23:38.533921Z",
+     "iopub.status.busy": "2026-08-04T13:23:38.533787Z",
+     "iopub.status.idle": "2026-08-04T13:23:38.561246Z",
+     "shell.execute_reply": "2026-08-04T13:23:38.560663Z"
     }
    },
    "outputs": [
@@ -2223,7 +2229,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "ab5ddfc1",
+   "id": "d7668d55",
    "metadata": {},
    "source": [
     "0.58 against 1.00. That is the column to sort on when auditing coordination\n",
@@ -2234,7 +2240,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "d043af0f",
+   "id": "569e79ec",
    "metadata": {},
    "source": [
     "## Who counts as a neighbour?\n",
@@ -2250,13 +2256,13 @@
   {
    "cell_type": "code",
    "execution_count": 27,
-   "id": "18b607b5",
+   "id": "012018dc",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:34.507889Z",
-     "iopub.status.busy": "2026-08-03T06:24:34.507800Z",
-     "iopub.status.idle": "2026-08-03T06:24:35.137093Z",
-     "shell.execute_reply": "2026-08-03T06:24:35.136605Z"
+     "iopub.execute_input": "2026-08-04T13:23:38.562416Z",
+     "iopub.status.busy": "2026-08-04T13:23:38.562283Z",
+     "iopub.status.idle": "2026-08-04T13:23:39.214830Z",
+     "shell.execute_reply": "2026-08-04T13:23:39.213997Z"
     }
    },
    "outputs": [
@@ -2393,7 +2399,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f343ff9c",
+   "id": "e494937b",
    "metadata": {},
    "source": [
     "Six and octahedral for every site, which is what rocksalt is.\n",
@@ -2406,13 +2412,13 @@
   {
    "cell_type": "code",
    "execution_count": 28,
-   "id": "c02abca9",
+   "id": "5a7a4640",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:35.138065Z",
-     "iopub.status.busy": "2026-08-03T06:24:35.137973Z",
-     "iopub.status.idle": "2026-08-03T06:24:35.327503Z",
-     "shell.execute_reply": "2026-08-03T06:24:35.327126Z"
+     "iopub.execute_input": "2026-08-04T13:23:39.216083Z",
+     "iopub.status.busy": "2026-08-04T13:23:39.215950Z",
+     "iopub.status.idle": "2026-08-04T13:23:39.418488Z",
+     "shell.execute_reply": "2026-08-04T13:23:39.416902Z"
     }
    },
    "outputs": [
@@ -2514,7 +2520,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "5b90d4fa",
+   "id": "216e77f8",
    "metadata": {},
    "source": [
     "Lower coordination, from an identical structure. A geometric criterion would\n",
@@ -2540,7 +2546,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "122a5b92",
+   "id": "f731568b",
    "metadata": {},
    "source": [
     "## What photoemission actually sees\n",
@@ -2558,13 +2564,13 @@
   {
    "cell_type": "code",
    "execution_count": 29,
-   "id": "2282a21c",
+   "id": "949a329c",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:35.328541Z",
-     "iopub.status.busy": "2026-08-03T06:24:35.328455Z",
-     "iopub.status.idle": "2026-08-03T06:24:35.340650Z",
-     "shell.execute_reply": "2026-08-03T06:24:35.340258Z"
+     "iopub.execute_input": "2026-08-04T13:23:39.420016Z",
+     "iopub.status.busy": "2026-08-04T13:23:39.419598Z",
+     "iopub.status.idle": "2026-08-04T13:23:39.434823Z",
+     "shell.execute_reply": "2026-08-04T13:23:39.434118Z"
     }
    },
    "outputs": [
@@ -2604,7 +2610,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "db3e6578",
+   "id": "5b8e91d1",
    "metadata": {},
    "source": [
     "Twenty, exactly the ratio of the two cross-sections. The oxygen states are\n",
@@ -2619,13 +2625,13 @@
   {
    "cell_type": "code",
    "execution_count": 30,
-   "id": "60e4716e",
+   "id": "9a16b00f",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:24:35.341475Z",
-     "iopub.status.busy": "2026-08-03T06:24:35.341388Z",
-     "iopub.status.idle": "2026-08-03T06:24:35.501087Z",
-     "shell.execute_reply": "2026-08-03T06:24:35.500690Z"
+     "iopub.execute_input": "2026-08-04T13:23:39.436633Z",
+     "iopub.status.busy": "2026-08-04T13:23:39.436063Z",
+     "iopub.status.idle": "2026-08-04T13:23:39.611615Z",
+     "shell.execute_reply": "2026-08-04T13:23:39.610245Z"
     }
    },
    "outputs": [
@@ -2671,7 +2677,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "6a4b8308",
+   "id": "8bfb3afc",
    "metadata": {},
    "source": [
     "```{note}\n",
diff --git a/matverse_guide/docs/tutorials/surfaces_and_adsorption.ipynb b/matverse_guide/docs/tutorials/surfaces_and_adsorption.ipynb
index a6d3b36..e09dcf5 100644
--- a/matverse_guide/docs/tutorials/surfaces_and_adsorption.ipynb
+++ b/matverse_guide/docs/tutorials/surfaces_and_adsorption.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "a781019a",
+   "id": "69f9bec6",
    "metadata": {},
    "source": [
     "# Surfaces and adsorption\n",
@@ -20,13 +20,13 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "ae9b40ba",
+   "id": "e706ccfe",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:23.983817Z",
-     "iopub.status.busy": "2026-08-03T06:22:23.983737Z",
-     "iopub.status.idle": "2026-08-03T06:22:27.123865Z",
-     "shell.execute_reply": "2026-08-03T06:22:27.123310Z"
+     "iopub.execute_input": "2026-08-04T13:21:00.302201Z",
+     "iopub.status.busy": "2026-08-04T13:21:00.302093Z",
+     "iopub.status.idle": "2026-08-04T13:21:06.998782Z",
+     "shell.execute_reply": "2026-08-04T13:21:06.998264Z"
     }
    },
    "outputs": [
@@ -34,20 +34,26 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "🔬 Starting plot initialization...\n",
-      "🧪 Calculators available: 6\n",
-      "    • emt — EMT (LGPL-2.1)\n",
-      "    • lj — Lennard-Jones (LGPL-2.1)\n",
-      "    • mace-mpa — mace-mpa (unstated)\n",
-      "    • mace-omat — mace-omat (unstated)\n",
-      "    • sevennet — sevennet (unstated)\n",
-      "    • chgnet — chgnet (unstated)\n"
+      "🔬 Starting plot initialization...\n"
      ]
     },
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
+      "🧪 Calculators available: 12\n",
+      "    • emt — EMT (LGPL-2.1)\n",
+      "    • lj — Lennard-Jones (LGPL-2.1)\n",
+      "    • mace-mpa — mace-mpa (unstated)\n",
+      "    • mace-omat — mace-omat (unstated)\n",
+      "    • sevennet — sevennet (unstated)\n",
+      "    • chgnet — chgnet (unstated)\n",
+      "    • m3gnet — M3GNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • m3gnet-r2scan — M3GNet-PES-MatPES-r2SCAN-2025.2 (BSD-3-Clause)\n",
+      "    • tensornet — TensorNet-PES-MatPES-PBE-2025.2 (BSD-3-Clause)\n",
+      "    • orb — ORB v3 conservative (Apache-2.0)\n",
+      "    • gpaw-pbe — GPAW PBE, PW(500 eV) (GPL-3.0)\n",
+      "    • gpaw-pbe-fast — GPAW PBE, PW(400 eV) (GPL-3.0)\n",
       "🖥️ NVIDIA CUDA GPUs: 1\n",
       "    • [CUDA 0] NVIDIA H100 80GB HBM3 — 79.1 GB, compute 9.0\n",
       "\n",
@@ -57,7 +63,7 @@
       " / / / / / / /_/ / /_ | |/ /  __/ /  (__  )  __/\n",
       "/_/ /_/ /_/\\__,_/\\__/ |___/\\___/_/  /____/\\___/\n",
       "\n",
-      "🔖 Version: 0.1.71   🧮 Functions: 213   📚 Tutorials: https://matverse.readthedocs.io/\n",
+      "🔖 Version: 0.1.71   🧮 Functions: 214   📚 Tutorials: https://matverse.readthedocs.io/\n",
       "✅ set_style complete.\n",
       "\n"
      ]
@@ -73,7 +79,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "176881ae",
+   "id": "3ddfca08",
    "metadata": {},
    "source": [
     "## Loading a dataset\n",
@@ -86,13 +92,13 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "a5917a3f",
+   "id": "1e808906",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:27.125141Z",
-     "iopub.status.busy": "2026-08-03T06:22:27.124775Z",
-     "iopub.status.idle": "2026-08-03T06:22:27.256576Z",
-     "shell.execute_reply": "2026-08-03T06:22:27.256181Z"
+     "iopub.execute_input": "2026-08-04T13:21:07.000665Z",
+     "iopub.status.busy": "2026-08-04T13:21:07.000291Z",
+     "iopub.status.idle": "2026-08-04T13:21:07.026055Z",
+     "shell.execute_reply": "2026-08-04T13:21:07.025592Z"
     }
    },
    "outputs": [
@@ -160,7 +166,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "20e532d6",
+   "id": "d2765ff5",
    "metadata": {},
    "source": [
     "The bulk energy is not optional bookkeeping — a surface energy is the cost of\n",
@@ -178,13 +184,13 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "9abb913f",
+   "id": "e173c272",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:27.257436Z",
-     "iopub.status.busy": "2026-08-03T06:22:27.257342Z",
-     "iopub.status.idle": "2026-08-03T06:22:27.472179Z",
-     "shell.execute_reply": "2026-08-03T06:22:27.471788Z"
+     "iopub.execute_input": "2026-08-04T13:21:07.027314Z",
+     "iopub.status.busy": "2026-08-04T13:21:07.027167Z",
+     "iopub.status.idle": "2026-08-04T13:21:07.252783Z",
+     "shell.execute_reply": "2026-08-04T13:21:07.252274Z"
     }
    },
    "outputs": [
@@ -212,13 +218,13 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "c54036f5",
+   "id": "2c4d0c60",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:27.473421Z",
-     "iopub.status.busy": "2026-08-03T06:22:27.473212Z",
-     "iopub.status.idle": "2026-08-03T06:22:27.484517Z",
-     "shell.execute_reply": "2026-08-03T06:22:27.484160Z"
+     "iopub.execute_input": "2026-08-04T13:21:07.253989Z",
+     "iopub.status.busy": "2026-08-04T13:21:07.253858Z",
+     "iopub.status.idle": "2026-08-04T13:21:07.265391Z",
+     "shell.execute_reply": "2026-08-04T13:21:07.265031Z"
     }
    },
    "outputs": [
@@ -333,7 +339,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "2a06d795",
+   "id": "f5dcd707",
    "metadata": {},
    "source": [
     "More rows out than in, with `obs['parent']` pointing back at the bulk material —\n",
@@ -349,13 +355,13 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "ae492d47",
+   "id": "efec2842",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:27.485269Z",
-     "iopub.status.busy": "2026-08-03T06:22:27.485179Z",
-     "iopub.status.idle": "2026-08-03T06:22:27.487341Z",
-     "shell.execute_reply": "2026-08-03T06:22:27.487044Z"
+     "iopub.execute_input": "2026-08-04T13:21:07.266822Z",
+     "iopub.status.busy": "2026-08-04T13:21:07.266681Z",
+     "iopub.status.idle": "2026-08-04T13:21:07.270565Z",
+     "shell.execute_reply": "2026-08-04T13:21:07.269851Z"
     }
    },
    "outputs": [
@@ -382,7 +388,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e861d7b5",
+   "id": "958006ae",
    "metadata": {},
    "source": [
     "## Surface energies"
@@ -391,13 +397,13 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "bb66b61d",
+   "id": "44f07115",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:27.488053Z",
-     "iopub.status.busy": "2026-08-03T06:22:27.487975Z",
-     "iopub.status.idle": "2026-08-03T06:22:27.510704Z",
-     "shell.execute_reply": "2026-08-03T06:22:27.510353Z"
+     "iopub.execute_input": "2026-08-04T13:21:07.271913Z",
+     "iopub.status.busy": "2026-08-04T13:21:07.271778Z",
+     "iopub.status.idle": "2026-08-04T13:21:07.303106Z",
+     "shell.execute_reply": "2026-08-04T13:21:07.302619Z"
     }
    },
    "outputs": [
@@ -426,7 +432,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "78e807ac",
+   "id": "cda3263a",
    "metadata": {},
    "source": [
     "**(111) < (100) < (110)**, which is the literature ordering for copper and for\n",
@@ -441,20 +447,20 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "0c4b1190",
+   "id": "6ad5de9d",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:27.511473Z",
-     "iopub.status.busy": "2026-08-03T06:22:27.511387Z",
-     "iopub.status.idle": "2026-08-03T06:22:27.625339Z",
-     "shell.execute_reply": "2026-08-03T06:22:27.624978Z"
+     "iopub.execute_input": "2026-08-04T13:21:07.304310Z",
+     "iopub.status.busy": "2026-08-04T13:21:07.304174Z",
+     "iopub.status.idle": "2026-08-04T13:21:07.466263Z",
+     "shell.execute_reply": "2026-08-04T13:21:07.465458Z"
     }
    },
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "<matplotlib.legend.Legend at 0x7f9c72581700>"
+       "<matplotlib.legend.Legend at 0x7fa960d2c170>"
       ]
      },
      "execution_count": 7,
@@ -494,7 +500,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "8225670a",
+   "id": "9a7a7d3a",
    "metadata": {},
    "source": [
     "## When a slab is not the bulk formula\n",
@@ -513,13 +519,13 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "e3e6edb0",
+   "id": "136ec893",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:27.626196Z",
-     "iopub.status.busy": "2026-08-03T06:22:27.626107Z",
-     "iopub.status.idle": "2026-08-03T06:22:27.796270Z",
-     "shell.execute_reply": "2026-08-03T06:22:27.795775Z"
+     "iopub.execute_input": "2026-08-04T13:21:07.467456Z",
+     "iopub.status.busy": "2026-08-04T13:21:07.467325Z",
+     "iopub.status.idle": "2026-08-04T13:21:07.658532Z",
+     "shell.execute_reply": "2026-08-04T13:21:07.657694Z"
     }
    },
    "outputs": [
@@ -610,7 +616,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "d711d281",
+   "id": "fbea506b",
    "metadata": {},
    "source": [
     "Four of these five are not Cu₃Au. The leftover atoms have to come from somewhere\n",
@@ -622,13 +628,13 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "8e28c96e",
+   "id": "91ad79d4",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:27.797121Z",
-     "iopub.status.busy": "2026-08-03T06:22:27.797037Z",
-     "iopub.status.idle": "2026-08-03T06:22:27.802319Z",
-     "shell.execute_reply": "2026-08-03T06:22:27.802029Z"
+     "iopub.execute_input": "2026-08-04T13:21:07.659897Z",
+     "iopub.status.busy": "2026-08-04T13:21:07.659765Z",
+     "iopub.status.idle": "2026-08-04T13:21:07.670529Z",
+     "shell.execute_reply": "2026-08-04T13:21:07.669581Z"
     }
    },
    "outputs": [
@@ -722,7 +728,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "5c21a390",
+   "id": "4dd14d59",
    "metadata": {},
    "source": [
     "### Referencing the surplus to a reservoir\n",
@@ -740,13 +746,13 @@
   {
    "cell_type": "code",
    "execution_count": 10,
-   "id": "4533aa13",
+   "id": "89b37e1f",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:27.803213Z",
-     "iopub.status.busy": "2026-08-03T06:22:27.803133Z",
-     "iopub.status.idle": "2026-08-03T06:22:28.961481Z",
-     "shell.execute_reply": "2026-08-03T06:22:28.961064Z"
+     "iopub.execute_input": "2026-08-04T13:21:07.671712Z",
+     "iopub.status.busy": "2026-08-04T13:21:07.671584Z",
+     "iopub.status.idle": "2026-08-04T13:21:08.513665Z",
+     "shell.execute_reply": "2026-08-04T13:21:08.512809Z"
     }
    },
    "outputs": [
@@ -856,7 +862,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "c254864c",
+   "id": "61286e59",
    "metadata": {},
    "source": [
     "Two things to read off. The two (100) terminations carry equal and opposite Au\n",
@@ -877,13 +883,13 @@
   {
    "cell_type": "code",
    "execution_count": 11,
-   "id": "33cdc719",
+   "id": "9bba5334",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:28.962462Z",
-     "iopub.status.busy": "2026-08-03T06:22:28.962332Z",
-     "iopub.status.idle": "2026-08-03T06:22:28.966984Z",
-     "shell.execute_reply": "2026-08-03T06:22:28.966650Z"
+     "iopub.execute_input": "2026-08-04T13:21:08.514871Z",
+     "iopub.status.busy": "2026-08-04T13:21:08.514733Z",
+     "iopub.status.idle": "2026-08-04T13:21:08.521736Z",
+     "shell.execute_reply": "2026-08-04T13:21:08.520945Z"
     }
    },
    "outputs": [
@@ -942,7 +948,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "208c2d83",
+   "id": "75caf4a6",
    "metadata": {},
    "source": [
     "## The equilibrium crystal shape\n",
@@ -956,13 +962,13 @@
   {
    "cell_type": "code",
    "execution_count": 12,
-   "id": "9c4d847b",
+   "id": "af114ba4",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:28.967701Z",
-     "iopub.status.busy": "2026-08-03T06:22:28.967618Z",
-     "iopub.status.idle": "2026-08-03T06:22:29.019523Z",
-     "shell.execute_reply": "2026-08-03T06:22:29.019112Z"
+     "iopub.execute_input": "2026-08-04T13:21:08.523119Z",
+     "iopub.status.busy": "2026-08-04T13:21:08.522995Z",
+     "iopub.status.idle": "2026-08-04T13:21:08.583869Z",
+     "shell.execute_reply": "2026-08-04T13:21:08.583335Z"
     }
    },
    "outputs": [
@@ -1030,13 +1036,13 @@
   {
    "cell_type": "code",
    "execution_count": 13,
-   "id": "b265b6b3",
+   "id": "51ed960a",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:29.020369Z",
-     "iopub.status.busy": "2026-08-03T06:22:29.020281Z",
-     "iopub.status.idle": "2026-08-03T06:22:29.025076Z",
-     "shell.execute_reply": "2026-08-03T06:22:29.024739Z"
+     "iopub.execute_input": "2026-08-04T13:21:08.585592Z",
+     "iopub.status.busy": "2026-08-04T13:21:08.584965Z",
+     "iopub.status.idle": "2026-08-04T13:21:08.592337Z",
+     "shell.execute_reply": "2026-08-04T13:21:08.591913Z"
     }
    },
    "outputs": [
@@ -1108,7 +1114,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "15fb56c3",
+   "id": "ca29e109",
    "metadata": {},
    "source": [
     "(111) takes **two thirds** of the surface, (100) most of the rest, and (110)\n",
@@ -1128,13 +1134,13 @@
   {
    "cell_type": "code",
    "execution_count": 14,
-   "id": "07aaeefc",
+   "id": "0bb9e825",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:29.025815Z",
-     "iopub.status.busy": "2026-08-03T06:22:29.025726Z",
-     "iopub.status.idle": "2026-08-03T06:22:29.027841Z",
-     "shell.execute_reply": "2026-08-03T06:22:29.027507Z"
+     "iopub.execute_input": "2026-08-04T13:21:08.593928Z",
+     "iopub.status.busy": "2026-08-04T13:21:08.593799Z",
+     "iopub.status.idle": "2026-08-04T13:21:08.597348Z",
+     "shell.execute_reply": "2026-08-04T13:21:08.596895Z"
     }
    },
    "outputs": [
@@ -1158,13 +1164,13 @@
   {
    "cell_type": "code",
    "execution_count": 15,
-   "id": "cb7e6ef6",
+   "id": "f9b02561",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:29.028499Z",
-     "iopub.status.busy": "2026-08-03T06:22:29.028422Z",
-     "iopub.status.idle": "2026-08-03T06:22:29.121414Z",
-     "shell.execute_reply": "2026-08-03T06:22:29.121029Z"
+     "iopub.execute_input": "2026-08-04T13:21:08.598695Z",
+     "iopub.status.busy": "2026-08-04T13:21:08.598576Z",
+     "iopub.status.idle": "2026-08-04T13:21:08.708405Z",
+     "shell.execute_reply": "2026-08-04T13:21:08.707969Z"
     }
    },
    "outputs": [
@@ -1206,7 +1212,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "6a171e89",
+   "id": "01b4c0a3",
    "metadata": {},
    "source": [
     "## Adsorption\n",
@@ -1219,13 +1225,13 @@
   {
    "cell_type": "code",
    "execution_count": 16,
-   "id": "9fc4467c",
+   "id": "5367ed12",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:29.122352Z",
-     "iopub.status.busy": "2026-08-03T06:22:29.122201Z",
-     "iopub.status.idle": "2026-08-03T06:22:29.162390Z",
-     "shell.execute_reply": "2026-08-03T06:22:29.161997Z"
+     "iopub.execute_input": "2026-08-04T13:21:08.710019Z",
+     "iopub.status.busy": "2026-08-04T13:21:08.709890Z",
+     "iopub.status.idle": "2026-08-04T13:21:08.756918Z",
+     "shell.execute_reply": "2026-08-04T13:21:08.756439Z"
     }
    },
    "outputs": [
@@ -1295,7 +1301,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "7850e5c8",
+   "id": "5fd9df94",
    "metadata": {},
    "source": [
     "### Sites are enumerated, not guessed\n",
@@ -1308,13 +1314,13 @@
   {
    "cell_type": "code",
    "execution_count": 17,
-   "id": "b088fa57",
+   "id": "deff51d1",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:29.163175Z",
-     "iopub.status.busy": "2026-08-03T06:22:29.163092Z",
-     "iopub.status.idle": "2026-08-03T06:22:29.233245Z",
-     "shell.execute_reply": "2026-08-03T06:22:29.232886Z"
+     "iopub.execute_input": "2026-08-04T13:21:08.758153Z",
+     "iopub.status.busy": "2026-08-04T13:21:08.757978Z",
+     "iopub.status.idle": "2026-08-04T13:21:08.840597Z",
+     "shell.execute_reply": "2026-08-04T13:21:08.840326Z"
     }
    },
    "outputs": [
@@ -1395,13 +1401,13 @@
   {
    "cell_type": "code",
    "execution_count": 18,
-   "id": "378d3831",
+   "id": "fe8aea16",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:29.234097Z",
-     "iopub.status.busy": "2026-08-03T06:22:29.234013Z",
-     "iopub.status.idle": "2026-08-03T06:22:29.236936Z",
-     "shell.execute_reply": "2026-08-03T06:22:29.236597Z"
+     "iopub.execute_input": "2026-08-04T13:21:08.842259Z",
+     "iopub.status.busy": "2026-08-04T13:21:08.842110Z",
+     "iopub.status.idle": "2026-08-04T13:21:08.846691Z",
+     "shell.execute_reply": "2026-08-04T13:21:08.845873Z"
     }
    },
    "outputs": [
@@ -1426,7 +1432,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "352b80ca",
+   "id": "7e3c41c5",
    "metadata": {},
    "source": [
     "On-top, bridge and hollow — the three coordination environments a close-packed\n",
@@ -1436,13 +1442,13 @@
   {
    "cell_type": "code",
    "execution_count": 19,
-   "id": "88266f98",
+   "id": "4b3f4d38",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:29.237645Z",
-     "iopub.status.busy": "2026-08-03T06:22:29.237560Z",
-     "iopub.status.idle": "2026-08-03T06:22:29.581291Z",
-     "shell.execute_reply": "2026-08-03T06:22:29.580928Z"
+     "iopub.execute_input": "2026-08-04T13:21:08.847995Z",
+     "iopub.status.busy": "2026-08-04T13:21:08.847862Z",
+     "iopub.status.idle": "2026-08-04T13:21:09.842998Z",
+     "shell.execute_reply": "2026-08-04T13:21:09.842565Z"
     }
    },
    "outputs": [
@@ -1471,7 +1477,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "ef5749be",
+   "id": "ab3d451d",
    "metadata": {},
    "source": [
     "**Hollow is lowest, then bridge, then on-top** — more neighbours, more bonding.\n",
@@ -1488,20 +1494,20 @@
   {
    "cell_type": "code",
    "execution_count": 20,
-   "id": "6f5d3435",
+   "id": "062d0f76",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:29.582502Z",
-     "iopub.status.busy": "2026-08-03T06:22:29.582416Z",
-     "iopub.status.idle": "2026-08-03T06:22:29.686038Z",
-     "shell.execute_reply": "2026-08-03T06:22:29.685677Z"
+     "iopub.execute_input": "2026-08-04T13:21:09.844270Z",
+     "iopub.status.busy": "2026-08-04T13:21:09.844155Z",
+     "iopub.status.idle": "2026-08-04T13:21:09.960782Z",
+     "shell.execute_reply": "2026-08-04T13:21:09.960328Z"
     }
    },
    "outputs": [
     {
      "data": {
       "text/plain": [
-       "<matplotlib.lines.Line2D at 0x7f9c5d31d640>"
+       "<matplotlib.lines.Line2D at 0x7fa94dae24e0>"
       ]
      },
      "execution_count": 20,
@@ -1539,7 +1545,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e3698349",
+   "id": "8e5ee9c4",
    "metadata": {},
    "source": [
     "About 170 meV between on-top and hollow. That is the size of difference that\n",
@@ -1548,7 +1554,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "749d4c7d",
+   "id": "e074240f",
    "metadata": {},
    "source": [
     "```{warning}\n",
@@ -1572,13 +1578,13 @@
   {
    "cell_type": "code",
    "execution_count": 21,
-   "id": "967a5d57",
+   "id": "407ea5ba",
    "metadata": {
     "execution": {
-     "iopub.execute_input": "2026-08-03T06:22:29.686983Z",
-     "iopub.status.busy": "2026-08-03T06:22:29.686892Z",
-     "iopub.status.idle": "2026-08-03T06:22:29.688849Z",
-     "shell.execute_reply": "2026-08-03T06:22:29.688535Z"
+     "iopub.execute_input": "2026-08-04T13:21:09.961953Z",
+     "iopub.status.busy": "2026-08-04T13:21:09.961809Z",
+     "iopub.status.idle": "2026-08-04T13:21:09.964415Z",
+     "shell.execute_reply": "2026-08-04T13:21:09.963705Z"
     }
    },
    "outputs": [
@@ -1602,7 +1608,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "60f24df3",
+   "id": "16a292b1",
    "metadata": {},
    "source": [
     "```{seealso}\n",
diff --git a/pyproject.toml b/pyproject.toml
index 09f4292..adf6fc4 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -42,6 +42,14 @@ matminer = ["matminer"]
 cost = ["bibtexparser"]                               # mv.prop.cost price table
 screening = ["smact"]                                # mv.gen.compositions
 generation = ["pyxtal"]                              # mv.gen.from_symmetry
+# Real Kohn-Sham DFT, as a matverse level of theory. GPAW is an ASE
+# calculator, so nothing beyond the registration is needed - but a DFT run is
+# minutes where a surrogate is milliseconds, which is why it is an extra and
+# why the test suite exercises it on one molecule rather than a crystal.
+dft = ["gpaw"]
+# Further foundation potentials, on top of the mace/sevennet/chgnet already
+# reachable. matgl carries M3GNet and TensorNet at both PBE and r2SCAN.
+potentials = ["matgl", "orb-models"]
 # mv.prop.phonon_at_temperature. hiphive reaches numba through trainstation,
 # and numba caps numpy below 2.5, so this extra cannot share an environment
 # with the newest numpy. It is tested in its own CI job for that reason rather
diff --git a/tests/_contract_cases.py b/tests/_contract_cases.py
index 9ceb0ee..aeca96e 100644
--- a/tests/_contract_cases.py
+++ b/tests/_contract_cases.py
@@ -149,6 +149,13 @@ def two_elements():
     return ["Ti", "O"]
 
 
+def symmetric():
+    """A dataset carrying obs['spacegroup_number'], for mv.pl.spacegroups."""
+    md = mv.datasets.metals(["Cu", "Al"])
+    mv.pp.symmetry(md)
+    return md
+
+
 def perovskite_candidates():
     return mv.data.from_compositions(["BaTiO3", "SrTiO3"])
 
@@ -849,6 +856,7 @@ def measured_alloy():
          {"threshold": 4, "returns": "new"}),
         (mv.gen.from_symmetry, perovskite_candidates, (),
          {"space_groups": [221], "seed": 0, "returns": "new"}),
+        (mv.pl.spacegroups, symmetric, (), {}),
         (mv.disorder.cluster_expansion, cu_au_training, (),
          {"parent": cu_au_parent(), "level": "emt",
           "cutoffs": {2: 6.0, 3: 4.5}}),
diff --git a/tests/test_pipeline.py b/tests/test_pipeline.py
index 0d3d92f..14a907a 100644
--- a/tests/test_pipeline.py
+++ b/tests/test_pipeline.py
@@ -336,3 +336,163 @@ def test_the_whole_object_still_saves(self, md, tmp_path):
         assert "relaxed_emt" in back.obsm["structures"].columns
         assert back.uns["levels"]["emt"]["method"] == "EMT"
         assert len(mv.structures(back, "relaxed_emt")) == 6
+
+
+def _spec(name: str) -> bool:
+    import importlib.util
+    return importlib.util.find_spec(name) is not None
+
+
+class TestLevelsOfTheory:
+    """What each level claims about itself.
+
+    Not backend-free, though the first version of this assumed it was: the
+    metadata is built inside _builtin alongside the import, so a level whose
+    backend is absent appears as {'unavailable': ...} rather than with its
+    fields. Every check here therefore skips the levels this environment
+    cannot construct, and asserts that it checked something.
+    """
+
+    @staticmethod
+    def _present(names):
+        levels = mv.calc.available()
+        found = {n: levels[n] for n in names
+                 if n in levels and "unavailable" not in levels[n]}
+        if not found:
+            pytest.skip(f"no backend installed for any of {names}")
+        return found
+
+    def test_the_dft_levels_are_not_surrogates(self):
+        """The whole point of the kind/surrogate fields. GPAW solves the
+        Kohn-Sham equations; everything else here reproduces something that
+        did, and a screen that cannot tell them apart cannot report what
+        produced a number."""
+        for entry in self._present(("gpaw-pbe", "gpaw-pbe-fast")).values():
+            assert entry["kind"] == "dft"
+            assert entry["surrogate"] is False
+            assert entry["reference"] == "PBE"
+
+    def test_the_surrogates_say_so(self):
+        found = self._present(("m3gnet", "tensornet", "orb", "mace-mpa",
+                               "chgnet"))
+        for entry in found.values():
+            assert entry["surrogate"] is True
+            assert entry["kind"] == "mlip"
+
+    def test_the_reference_functional_is_recorded_and_differs(self):
+        """Mixing a PBE surrogate with an r2SCAN one is the same class of
+        error as mixing PBE with HSE06. On silicon the two M3GNet checkpoints
+        differ by 6 eV for the same cell, so this is not a nicety."""
+        found = self._present(("m3gnet", "m3gnet-r2scan"))
+        if len(found) < 2:
+            pytest.skip("both matgl checkpoints are needed to compare them")
+        assert "PBE" in found["m3gnet"]["reference"]
+        assert "r2SCAN" in found["m3gnet-r2scan"]["reference"]
+        assert found["m3gnet"]["reference"] != \
+            found["m3gnet-r2scan"]["reference"]
+
+    def test_the_dft_levels_record_what_decides_convergence(self):
+        """A DFT number without its cutoff and k-mesh is not reproducible."""
+        for entry in self._present(("gpaw-pbe", "gpaw-pbe-fast")).values():
+            assert entry["plane_wave_cutoff_eV"] > 0
+            assert len(entry["kpoint_mesh"]) == 3
+
+    def test_the_gpaw_mesh_is_fixed_not_a_density(self):
+        """A density-based mesh changes discretely with cell size, which puts
+        a step in E(V). On silicon that gave a bulk modulus of -879 GPa at
+        density 2.0 and 256 GPa at 2.5, against 88.7 at a fixed mesh."""
+        for entry in self._present(("gpaw-pbe", "gpaw-pbe-fast")).values():
+            assert "kpoint_density_per_inv_angstrom" not in entry
+            assert all(isinstance(k, int) for k in entry["kpoint_mesh"])
+
+
+@pytest.mark.skipif(not _spec("matgl"), reason="matgl is an optional extra")
+class TestMatglStressUnit:
+    def test_the_stress_is_in_ase_units_not_gigapascals(self):
+        """matgl returns stress in GPa by default while ASE's contract is
+        eV/A^3. Left alone it makes every stress-derived quantity exactly
+        160.2x too large, with no error raised anywhere — the factor is the
+        GPa-to-eV/A^3 conversion, which is what makes it recognisable."""
+        from ase.build import bulk
+        from matverse.calc import _builtin
+        factory, _ = _builtin("tensornet")
+        atoms = bulk("Si", "diamond", a=5.43)
+        atoms.calc = factory()
+        stress = abs(np.asarray(atoms.get_stress())).max()
+        # Silicon near equilibrium: hundredths of eV/A^3, not units of it.
+        assert stress < 0.5, f"stress {stress} looks like GPa, not eV/A^3"
+
+
+@pytest.mark.skipif(not _spec("gpaw"), reason="GPAW is an optional extra")
+class TestRealDFT:
+    """One genuine Kohn-Sham calculation, small enough for CI.
+
+    This skips in CI, and not because it is slow. GPAW ships no wheel and its
+    26.x sources include C++ headers from files the build compiles as C, so on
+    a stock runner it stops at "fatal error: algorithm: No such file or
+    directory" regardless of libxc, BLAS and build-essential. It builds where
+    the compiler puts the C++ headers on the default include path, which is
+    where the numbers in the notes were measured: a relaxed silicon lattice
+    constant of 5.479 A against a PBE literature 5.47, and a bulk modulus of
+    88.7 GPa against 88-89. Those runs take minutes each and would not belong
+    in CI even if it could install the package.
+    """
+
+    def test_it_actually_solves_something(self):
+        from ase import Atoms
+        from gpaw import GPAW
+        molecule = Atoms("H2", positions=[[3, 3, 2.63], [3, 3, 3.37]],
+                         cell=[6, 6, 6], pbc=False)
+        molecule.calc = GPAW(mode="lcao", basis="sz(dzp)", xc="PBE",
+                             txt=None, h=0.25)
+        energy = molecule.get_potential_energy()
+        assert np.isfinite(energy)
+        assert -12.0 < energy < 0.0          # bound, and not absurd
+        assert np.isfinite(molecule.get_forces()).all()
+
+    def test_the_level_reaches_matverse_as_dft(self):
+        """Constructed through mv.calc's own registry rather than directly,
+        so a broken factory shows up here."""
+        from matverse.calc import _builtin
+        factory, meta = _builtin("gpaw-pbe-fast")
+        assert meta["kind"] == "dft" and meta["surrogate"] is False
+        assert factory() is not None
+
+
+@pytest.mark.skipif(not _spec("matplotlib"), reason="needs matplotlib")
+class TestSpacegroupPlot:
+    def test_it_groups_by_crystal_system(self):
+        import matplotlib
+        matplotlib.use("Agg")
+        from matverse.pl import _crystal_system
+        # Boundaries of the international convention, which is where an
+        # off-by-one would sit.
+        assert _crystal_system(1) == "triclinic"
+        assert _crystal_system(2) == "triclinic"
+        assert _crystal_system(3) == "monoclinic"
+        assert _crystal_system(15) == "monoclinic"
+        assert _crystal_system(16) == "orthorhombic"
+        assert _crystal_system(195) == "cubic"
+        assert _crystal_system(230) == "cubic"
+
+    def test_it_plots_a_distribution(self):
+        import matplotlib
+        matplotlib.use("Agg")
+        md = mv.datasets.metals(["Cu", "Al", "Ni"])
+        mv.pp.symmetry(md)
+        ax = mv.pl.spacegroups(md)
+        assert ax._matverse_n_groups >= 1
+
+    def test_it_says_what_it_left_out(self):
+        import matplotlib
+        matplotlib.use("Agg")
+        md = mv.datasets.metals(["Cu", "Al", "Ni", "Ag", "Au"])
+        mv.pp.symmetry(md)
+        ax = mv.pl.spacegroups(md, top=1)
+        assert ax._matverse_n_groups == 1
+        assert ax._matverse_dropped >= 0
+
+    def test_a_missing_column_names_the_fix(self):
+        md = mv.datasets.metals(["Cu"])
+        with pytest.raises(ValueError, match="mv.pp.symmetry"):
+            mv.pl.spacegroups(md)