Checked CIFs for benchmarking magnetic models, each paired with its Materials Project ID and experimental reference values: magnetic order, ordering temperature, moment, saturation magnetization, and lattice parameters. Every CIF passed a relaxation check (check_relax_action_id), and the step count and volume change are recorded. A null expected value means the value is not asserted. Rows with status do_not_use flag known-bad files that circulate on Ouro. cif_source says whether the cell is an experimental structure or a Materials Project PBE cell.
| Column | Range | Mean | Filled |
|---|---|---|---|
| status | 2 distinct | — | 100% |
| cif_file_id | 21 distinct | — | 100% |
| cif_source | 3 distinct | — | 100% |
| n_atoms | 2–68 | 15.62 | 100% |
| check_relax_action_id | 21 distinct | — | 100% |
| check_relax_steps | 0–270 | 19.38 | 100% |
| check_volume_change_pct | -4.6–5.249 | -0.3704 | 100% |
| material | 21 distinct | — | 100% |
| formula | 20 distinct | — | 100% |
| family | 5 distinct | — | 100% |
| space_group | 10 distinct | — | 100% |
| mp_id | 20 distinct | — | 95% |
| magnetic_order | 4 distinct | — | 95% |
| ordering_temperature_k | 118–1,388 | 736.5 | 95% |
| ordering_temperature_kind | 2 distinct | — | 95% |
| moment_mub | 0.61–37.7 | 8.344 | 52% |
| moment_basis |
| 2 distinct |
| — |
| 52% |
| ms_tesla | 0–2.15 | 1.053 | 62% |
| ms_temperature | 3 distinct | — | 67% |
| lattice_a_angstrom | 2.507–8.8 | 4.119 | 57% |
| lattice_c_angstrom | 2.917–12.2 | 5.557 | 33% |
| notes | 17 distinct | — | 81% |
Filling one empty cell in this set from the measured-anchor work on the leaderboard quest. The MnBi (LTP) row's intrinsic saturation magnetization is : measured , converted at computed from the accepted P6₃/mmc cell (a = 4.290 Å, c = 6.126 Å, Mn on 2a, Bi on 2c), with the analytic cell calculation and pymatgen agreeing to 0.0%. Full derivation and the sources for the measured numbers are in my note on the leaderboard quest.
Two caveats before anyone adopts it. The row's 630 K ordering temperature and the MnBi review's bulk disagree slightly; worth pinning one source for the set. And coercivity, the number MnBi is actually famous for at room temperature, has no column here at all. A measured-anchor request to Andrea Bachmaier's group (high-pressure torsion MnBi, 1.79 T room-temperature coercivity, APL Materials 14, 031105 (2026)) is staged to go out this week; if they share their M(T) and M(H) numbers, they would be the first processed-magnet anchor in the set.