150 rare-earth-free permanent magnet candidates from Will Bryan's screening pipeline, shared for the Oliynyk collaboration. Filters: no RE elements, kappa >= 0.3, Ms >= 300 kA/m, Tc >= 150 K, uniaxial [001] easy axis. Includes MLIP relaxation energies, convex-hull stability, ALIGNN predictions, DFT magnetic properties, microstructure robustness sweeps, cifkit geometry plausibility, HHI supply-chain indices, and GHS toxicity scores. Structure-type classification (oxide/intermetallic/pnictide/chalcogenide/halide/boride/silicide) added per Anton Oliynyk's request to split oxide vs intermetallic synthesis routes.
| Column | Range | Mean | Filled |
|---|---|---|---|
| compound | 150 distinct | — | 100% |
| cif | 114 distinct | — | 100% |
| file_id | 150 distinct | — | 100% |
| optimized_energy | -178.7–-23.89 | -101.6 | 45% |
| starting_energy | -178.6–-23.88 | -101.2 | 45% |
| steps | 0–44 | 11.73 | 45% |
| e_above_hull | 0–0.2901 | 0.1005 | 51% |
| formula | 56 distinct | — | 99% |
| input_is_lowest_energy | 0–1 | 0.3377 | 51% |
| is_terminal_entry | 0–1 | 0.2987 | 51% |
| num_reference_entries | 16–832 | 198.9 | 51% |
| num_user_contributions | 0–0 | 0 | 51% |
| predicted_stable | 0–1 | 0.3247 | 51% |
| formation_energy_per_atom | -2.168–0.2901 | -0.4802 | 51% |
| num_entries_at_composition | 1–9 | 1.87 | 51% |
| units | 1 distinct | — | 54% |
| temperature | 153.1–695 | 276.2 | 54% |
| n_atoms | 2–28 | 11.87 | 41% |
| volume_angstrom3 | 27.1–420.5 | 178.1 | 41% |
| calculation_time_seconds | 361.2–7,134 | 2,942 | 41% |
| magnetic_hardness_kappa | 0.3349–8.225 | 1.798 | 41% |
| total_magnetic_moment_uB | 1.35–18.93 | 8.741 | 41% |
| easy_axis | 3 distinct | — | 41% |
| hard_axis | 3 distinct | — | 41% |
| mae_mev_per_atom | 0.001659–1.804 | 0.1652 | 41% |
| mae_mj_per_m3 | 0.02154–17.97 | 1.464 | 41% |
| mae_ev | 0.000009006–0.005716 | 0.001063 | 40% |
| saturation_magnetization_A_per_m | 302,405–1,215,110 | 499,200 | 41% |
| calculation_id | 60 distinct | — | 40% |
| is_magnetic | 1–1 | 1 | 1% |
| nspin | 2–2 | 2 | 1% |
| property | 1 distinct | — | 1% |
| scf_reused | 1–1 | 1 | 1% |
| warm_started_from_collinear | 1–1 | 1 | 1% |
| cifkit_cn_min | 4–14 | 7.12 | 100% |
| cifkit_cn_max | 4–19 | 14.52 | 100% |
| cifkit_cn_mean | 4–16 | 10.86 | 100% |
| cifkit_bond_ratio_min | 0.5996–0.9953 | 0.842 | 100% |
| cifkit_bond_ratio_mean | 0.8515–1.211 | 1.013 | 100% |
| cifkit_bond_ratio_n | 24–313 | 156.6 | 100% |
| cifkit_homo_bond_frac | 0–0.8 | 0.3363 | 100% |
| cifkit_packing_eff_min | 0.033–0.725 | 0.3924 | 100% |
| cifkit_packing_eff_mean | 0.1964–0.7703 | 0.5119 | 100% |
| cifkit_centroid_off_max | 0–0.952 | 0.3088 | 100% |
| cifkit_centroid_off_mean | 0–0.5927 | 0.1422 | 100% |
| cifkit_poly_fail_sites | 0–4 | 0.08 | 100% |
| mag_sweep_robustness_score | 0–0.6812 | 0.01333 | 40% |
| mag_sweep_pass_fraction | 0–0.4055 | 0.008233 | 40% |
| mag_sweep_peak_BHmax_kJ_per_m3 | 28.7–463.9 | 85.75 | 40% |
| mag_sweep_peak_Br_T | 0.38–1.527 | 0.6142 | 40% |
| mag_sweep_A_exchange_J_per_m | 0–0 | 0 | 40% |
| mag_sweep_acceptable_region | 5 distinct | — | 40% |
| mag_sweep_top_failure_modes | 6 distinct | — | 40% |
| hf_match_method | 2 distinct | — | 100% |
| hf_record_id | 57 distinct | — | 100% |
| hf_mp_id | 42 distinct | — | 64% |
| hf_source | 3 distinct | — | 100% |
| hf_Tc_K | 153.1–604.9 | 272 | 99% |
| hf_Ms_A_per_m | 302,398–1,214,700 | 487,600 | 100% |
| hf_K1_J_per_m3 | 33,730–43,751,100 | 1,419,793 | 100% |
| hf_kappa | 0.3058–16.94 | 1.611 | 100% |
| hf_kappa_corrected | 0.3064–16.4 | 1.573 | 100% |
| hf_K1_corrected_J_per_m3 | 33,870–40,995,800 | 1,338,167 | 100% |
| hf_kappa_reliable | 1 distinct | — | 100% |
| hf_easy_axis | 3 distinct | — | 100% |
| hf_easy_axis_confidence | 0.81–0.92 | 0.863 | 100% |
| hf_k1_outlier | 2 distinct | — | 100% |
| hf_A_exchange_J_per_m | 0–0 | 0 | 60% |
| hf_e_above_hull_meV | 0–290.1 | 84.12 | 100% |
| hf_ms_ordering_risk | 1 distinct | — | 27% |
| hf_fm_alignment | 0.315–1.194 | 0.9208 | 93% |
| hf_fm_assumption_risk | 2 distinct | — | 100% |
| hf_max_moment_uB | 0.902–4.413 | 2.985 | 93% |
| hhi_score | 1,068–8,515 | 2,732 | 100% |
| hhi_production | 1,099–6,164 | 2,851 | 100% |
| id | 150 distinct | — | 100% |
| ei_tox_score | 0.8506–10 | 6.414 | 100% |
| ei_scored_at | 1 distinct | — | 100% |
| structure_type | 8 distinct | — | 100% |
| anion_class | 2 distinct | — | 100% |