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.
| id | cif | nspin | steps | units | mae_ev | file_id |
|---|---|---|---|---|---|---|
| 019f9083-2d78-7e59-9077-1b458f2a8f98 | # generated using pymatgen data_CoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72521526 _cell_length_b 3.78705947 _cell_length_c 3.78705947 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoPt _chemical_formula_sum 'Co2 Pt2' _cell_volume 53.42636459 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1.0 Co Co1 1 0.00000000 0.50000000 0.50000000 1.0 Pt Pt2 1 0.50000000 0.00000000 0.50000000 1.0 Pt Pt3 1 0.50000000 0.50000000 0.00000000 1.0 | null | 5 | null | null | 00fc4491-9ad1-438f-a030-a392bb3ce126 |
| 019f9083-2d79-7fa3-b551-62744813b1ce | # generated using pymatgen data_SrMnSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42010000 _cell_length_b 4.42040000 _cell_length_c 11.42220000 _cell_angle_alpha 89.99720000 _cell_angle_beta 89.99540000 _cell_angle_gamma 90.00790000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrMnSb2 _chemical_formula_sum 'Sr2 Mn2 Sb4' _cell_volume 223.17390849 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.00010000 0.50000000 0.23440000 1.0 Sr Sr1 1 0.49980000 0.99980000 0.76570000 1.0 Mn Mn2 1 0.00010000 0.99990000 0.49990000 1.0 Mn Mn3 1 0.50000000 0.50010000 0.49990000 1.0 Sb Sb4 1 0.00040000 0.00020000 0.00000000 1.0 Sb Sb5 1 0.50000000 0.49970000 0.00000000 1.0 Sb Sb6 1 0.99990000 0.50020000 0.63900000 1.0 Sb Sb7 1 0.49970000 0.00010000 0.36100000 1.0 | null | null | K | 0.00223807 | 02c7f5e1-a2be-4cfa-b3e0-5d66df4509e5 |
| 019f9083-2d79-7866-85b7-7f1d3eb8cdc2 | # generated using pymatgen data_CoPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.11240000 _cell_length_b 9.11230000 _cell_length_c 9.11240000 _cell_angle_alpha 17.36620000 _cell_angle_beta 17.36660000 _cell_angle_gamma 17.36640000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoPt3 _chemical_formula_sum 'Co1 Pt3' _cell_volume 58.82605286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1.0 Pt Pt1 1 0.25630000 0.25620000 0.25620000 1.0 Pt Pt2 1 0.50000000 0.50000000 0.50000000 1.0 Pt Pt3 1 0.74370000 0.74380000 0.74380000 1.0 | null | null | K | 0.00163782 | 044a101a-4f4a-4ff7-85b8-8a7bcb5e9b67 |
| 019f9083-2d79-7e06-bf85-4cf69d37b1c6 | # generated using pymatgen data_Sr5Mn5O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88110000 _cell_length_b 8.75740000 _cell_length_c 8.75730000 _cell_angle_alpha 90.00220000 _cell_angle_beta 90.00070000 _cell_angle_gamma 90.00350000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr5Mn5O13 _chemical_formula_sum 'Sr5 Mn5 O13' _cell_volume 297.64613410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.50000000 0.28180000 0.11460000 1.0 Sr Sr1 1 0.50000000 0.88550000 0.28190000 1.0 Sr Sr2 1 0.50000000 0.11460000 0.71830000 1.0 Sr Sr3 1 0.50000000 0.71820000 0.88550000 1.0 Sr Sr4 1 0.50000000 0.49990000 0.50010000 1.0 Mn Mn5 1 0.00000000 0.19660000 0.40070000 1.0 Mn Mn6 1 0.00010000 0.80340000 0.59930000 1.0 Mn Mn7 1 0.00010000 0.59930000 0.19660000 1.0 Mn Mn8 1 0.00000000 0.40070000 0.80340000 1.0 Mn Mn9 1 0.00000000 0.00000000 0.00000000 1.0 O O10 1 0.99990000 0.71230000 0.40080000 1.0 O O11 1 0.00000000 0.78590000 0.06890000 1.0 O O12 1 0.50010000 0.83670000 0.58390000 1.0 O O13 1 0.00000000 0.06880000 0.21410000 1.0 O O14 1 0.99990000 0.59920000 0.71220000 1.0 O O15 1 0.99990000 0.28780000 0.59920000 1.0 O O16 1 0.00000000 0.21410000 0.93110000 1.0 O O17 1 0.50000000 0.16340000 0.41610000 1.0 O O18 1 0.50000000 0.41610000 0.83650000 1.0 O O19 1 0.50010000 0.58380000 0.16320000 1.0 O O20 1 0.00000000 0.93110000 0.78600000 1.0 O O21 1 0.50000000 0.00000000 0.00000000 1.0 O O22 1 0.99990000 0.40070000 0.28760000 1.0 | null | null | K | 0.000738356 | |
| 019f9083-2d79-7657-99d8-9fda3bf6f011 | # generated using pymatgen data_LiFe6As5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.19450000 _cell_length_b 14.19420000 _cell_length_c 14.19370000 _cell_angle_alpha 20.94250000 _cell_angle_beta 20.94370000 _cell_angle_gamma 20.94060000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFe6As5 _chemical_formula_sum 'Li2 Fe12 As10' _cell_volume 319.91816708 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.91150000 0.90910000 0.90860000 1.0 Li Li1 1 0.09370000 0.08830000 0.08850000 1.0 Fe Fe2 1 0.04310000 0.59910000 0.49010000 1.0 Fe Fe3 1 0.63290000 0.14970000 0.62970000 1.0 Fe Fe4 1 0.14860000 0.63020000 0.63360000 1.0 Fe Fe5 1 0.62910000 0.63410000 0.14930000 1.0 Fe Fe6 1 0.48950000 0.04290000 0.59970000 1.0 Fe Fe7 1 0.36970000 0.85160000 0.36620000 1.0 Fe Fe8 1 0.40040000 0.95650000 0.51100000 1.0 Fe Fe9 1 0.95590000 0.51040000 0.40160000 1.0 Fe Fe10 1 0.85010000 0.36720000 0.37000000 1.0 Fe Fe11 1 0.51030000 0.40080000 0.95690000 1.0 Fe Fe12 1 0.36590000 0.37060000 0.85090000 1.0 Fe Fe13 1 0.59940000 0.48960000 0.04330000 1.0 As As14 1 0.42180000 0.42060000 0.42060000 1.0 As As15 1 0.33333333 0.33340000 0.33370000 1.0 As As16 1 0.66666667 0.66650000 0.66680000 1.0 As As17 1 0.96810000 0.96790000 0.96890000 1.0 As As18 1 0.03150000 0.03160000 0.03230000 1.0 As As19 1 0.14810000 0.14910000 0.14870000 1.0 As As20 1 0.57880000 0.57900000 0.57910000 1.0 As As21 1 0.24530000 0.24520000 0.24490000 1.0 As As22 1 0.75540000 0.75470000 0.75450000 1.0 As As23 1 0.85080000 0.85190000 0.85110000 1.0 | null | null | K | null | |
| 019f9083-2d79-756f-b97b-d56725d157fc | # generated using pymatgen data_LiFe6As5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.74552588 _cell_length_b 14.74552588 _cell_length_c 14.74552566 _cell_angle_alpha 19.64053501 _cell_angle_beta 19.64053501 _cell_angle_gamma 19.64053257 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFe6As5 _chemical_formula_sum 'Li2 Fe12 As10' _cell_volume 316.75666278 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.91224500 0.91224500 0.91224500 1.0 Li Li1 1 0.08775500 0.08775500 0.08775500 1.0 Fe Fe2 1 0.04571600 0.54639200 0.54639200 1.0 Fe Fe3 1 0.63552300 0.14632200 0.63552300 1.0 Fe Fe4 1 0.14632200 0.63552300 0.63552300 1.0 Fe Fe5 1 0.63552300 0.63552300 0.14632200 1.0 Fe Fe6 1 0.54639200 0.04571600 0.54639200 1.0 Fe Fe7 1 0.36447700 0.85367800 0.36447700 1.0 Fe Fe8 1 0.45360800 0.95428400 0.45360800 1.0 Fe Fe9 1 0.95428400 0.45360800 0.45360800 1.0 Fe Fe10 1 0.85367800 0.36447700 0.36447700 1.0 Fe Fe11 1 0.45360800 0.45360800 0.95428400 1.0 Fe Fe12 1 0.36447700 0.36447700 0.85367800 1.0 Fe Fe13 1 0.54639200 0.54639200 0.04571600 1.0 As As14 1 0.42538700 0.42538700 0.42538700 1.0 As As15 1 0.33338900 0.33338900 0.33338900 1.0 As As16 1 0.66666667 0.66666667 0.66666667 1.0 As As17 1 0.97054100 0.97054100 0.97054100 1.0 As As18 1 0.02945900 0.02945900 0.02945900 1.0 As As19 1 0.14749500 0.14749500 0.14749500 1.0 As As20 1 0.57461300 0.57461300 0.57461300 1.0 As As21 1 0.24087800 0.24087800 0.24087800 1.0 As As22 1 0.75912200 0.75912200 0.75912200 1.0 As As23 1 0.85250500 0.85250500 0.85250500 1.0 | null | 44 | null | null | |
| 019f9083-2d79-7e09-9662-987a6fb93030 | # generated using pymatgen data_Fe3CuAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65560300 _cell_length_b 3.65560300 _cell_length_c 5.98420000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3CuAs2 _chemical_formula_sum 'Fe3 Cu1 As2' _cell_volume 79.96945752 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.50000000 0.00000000 0.31812000 1.0 Fe Fe1 1 0.00000000 0.50000000 0.68188000 1.0 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu3 1 0.50000000 0.50000000 0.00000000 1.0 As As4 1 0.50000000 0.00000000 0.71623200 1.0 As As5 1 0.00000000 0.50000000 0.28376800 1.0 | null | 2 | null | null | 0dcbba22-2606-4555-8c23-353b8284da4c |
| 019f9083-2d7a-75b8-8ab9-0b31b95b4d65 | # generated using pymatgen data_Zn2FeWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33640000 _cell_length_b 7.61720000 _cell_length_c 5.65860000 _cell_angle_alpha 94.69240000 _cell_angle_beta 90.09050000 _cell_angle_gamma 90.23430000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2FeWO6 _chemical_formula_sum 'Zn4 Fe2 W2 O12' _cell_volume 229.23989689 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zn Zn0 1 0.51320000 0.28260000 0.93200000 1.0 Zn Zn1 1 0.01310000 0.78250000 0.43120000 1.0 Zn Zn2 1 0.00900000 0.24050000 0.51160000 1.0 Zn Zn3 1 0.50910000 0.74100000 0.01070000 1.0 Fe Fe4 1 0.51250000 0.99190000 0.50880000 1.0 Fe Fe5 1 0.01230000 0.49170000 0.00850000 1.0 W W6 1 0.51080000 0.49500000 0.50260000 1.0 W W7 1 0.01090000 0.99490000 0.00260000 1.0 O O8 1 0.22010000 0.41070000 0.68850000 1.0 O O9 1 0.72080000 0.91000000 0.18870000 1.0 O O10 1 0.16280000 0.04320000 0.32930000 1.0 O O11 1 0.66280000 0.54340000 0.82920000 1.0 O O12 1 0.64640000 0.24950000 0.53700000 1.0 O O13 1 0.14680000 0.74960000 0.03560000 1.0 O O14 1 0.31560000 0.05870000 0.85530000 1.0 O O15 1 0.81600000 0.55800000 0.35510000 1.0 O O16 1 0.87490000 0.22850000 0.01660000 1.0 O O17 1 0.37550000 0.72870000 0.51550000 1.0 O O18 1 0.34880000 0.41760000 0.21240000 1.0 O O19 1 0.84890000 0.91790000 0.71210000 1.0 | null | null | K | 0.000848238 | 108c6b67-b9bc-4efa-9226-1e0c5975b4f8 |
| 019f9083-2d7a-7289-85a1-07f3abd66e78 | # generated using pymatgen data_Mn3NiO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86770000 _cell_length_b 5.86650000 _cell_length_c 5.86820000 _cell_angle_alpha 59.33220000 _cell_angle_beta 59.32680000 _cell_angle_gamma 59.32750000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3NiO8 _chemical_formula_sum 'Mn3 Ni1 O8' _cell_volume 140.65322417 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.50020000 0.49980000 0.00000000 1.0 Mn Mn1 1 0.00000000 0.49980000 0.50020000 1.0 Mn Mn2 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni3 1 0.00010000 0.00010000 0.00000000 1.0 O O4 1 0.26670000 0.26670000 0.26660000 1.0 O O5 1 0.76950000 0.76950000 0.26260000 1.0 O O6 1 0.26280000 0.76940000 0.76960000 1.0 O O7 1 0.73320000 0.73350000 0.73320000 1.0 O O8 1 0.76950000 0.26280000 0.76950000 1.0 O O9 1 0.23040000 0.23060000 0.73710000 1.0 O O10 1 0.73720000 0.23060000 0.23060000 1.0 O O11 1 0.23050000 0.73730000 0.23060000 1.0 | null | null | K | 0.000260301 | 11cec1cb-5c2a-4c4e-8275-7ab0dada6edd |
| 019f9083-2d7a-7c4e-8c48-5970e392711b | # generated using pymatgen data_HfMnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59720000 _cell_length_b 6.59350000 _cell_length_c 3.79560000 _cell_angle_alpha 90.00280000 _cell_angle_beta 89.99600000 _cell_angle_gamma 120.00230000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMnGe _chemical_formula_sum 'Hf3 Mn3 Ge3' _cell_volume 142.98045131 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.41430000 0.50020000 1.0 Hf Hf1 1 0.58600000 0.58590000 0.50020000 1.0 Hf Hf2 1 0.41380000 0.99990000 0.50030000 1.0 Mn Mn3 1 0.00010000 0.76390000 0.00000000 1.0 Mn Mn4 1 0.23600000 0.23580000 0.00000000 1.0 Mn Mn5 1 0.76410000 0.99990000 0.00010000 1.0 Ge Ge6 1 0.33340000 0.66666667 0.00000000 1.0 Ge Ge7 1 0.66680000 0.33340000 0.00000000 1.0 Ge Ge8 1 0.99980000 0.00010000 0.49940000 1.0 | null | null | K | 0.00212682 | 12899411-d2d2-4d90-b1e6-8cd75e410816 |
| 019f9083-2d7a-7f55-aa53-1a09def1dbd4 | # generated using pymatgen data_Cr8CoCu3Se16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.37270100 _cell_length_b 7.37270100 _cell_length_c 10.42238800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr8CoCu3Se16 _chemical_formula_sum 'Cr8 Co1 Cu3 Se16' _cell_volume 566.52682662 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.25049500 0.50000000 0.12356700 1.0 Cr Cr1 1 0.75293000 0.00000000 0.62466300 1.0 Cr Cr2 1 0.74950500 0.50000000 0.12356700 1.0 Cr Cr3 1 0.24707000 0.00000000 0.62466300 1.0 Cr Cr4 1 0.00000000 0.24707000 0.37533700 1.0 Cr Cr5 1 0.50000000 0.74950500 0.87643300 1.0 Cr Cr6 1 0.50000000 0.25049500 0.87643300 1.0 Cr Cr7 1 0.00000000 0.75293000 0.37533700 1.0 Co Co8 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu9 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu10 1 0.50000000 0.00000000 0.24989500 1.0 Cu Cu11 1 0.00000000 0.50000000 0.75010500 1.0 Se Se12 1 0.76227300 0.50000000 0.36868300 1.0 Se Se13 1 0.26594900 0.00000000 0.86676200 1.0 Se Se14 1 0.23772700 0.50000000 0.36868300 1.0 Se Se15 1 0.73405100 0.00000000 0.86676200 1.0 Se Se16 1 0.50000000 0.23772700 0.63131700 1.0 Se Se17 1 0.00000000 0.73405100 0.13323800 1.0 Se Se18 1 0.50000000 0.76227300 0.63131700 1.0 Se Se19 1 0.00000000 0.26594900 0.13323800 1.0 Se Se20 1 0.23458800 0.00000000 0.38262300 1.0 Se Se21 1 0.73479500 0.50000000 0.88288600 1.0 Se Se22 1 0.76541200 0.00000000 0.38262300 1.0 Se Se23 1 0.26520500 0.50000000 0.88288600 1.0 Se Se24 1 0.50000000 0.26520500 0.11711400 1.0 Se Se25 1 0.00000000 0.76541200 0.61737700 1.0 Se Se26 1 0.50000000 0.73479500 0.11711400 1.0 Se Se27 1 0.00000000 0.23458800 0.61737700 1.0 | null | 2 | null | ||
| 019f9083-2d7a-7954-a0b0-bfba7793a773 | # generated using pymatgen data_CoPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71910000 _cell_length_b 3.81790000 _cell_length_c 3.81780000 _cell_angle_alpha 89.99860000 _cell_angle_beta 89.99900000 _cell_angle_gamma 90.00570000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoPt _chemical_formula_sum 'Co2 Pt2' _cell_volume 54.20952179 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00010000 0.00010000 1.0 Co Co1 1 0.00000000 0.50010000 0.50010000 1.0 Pt Pt2 1 0.50000000 0.99990000 0.49990000 1.0 Pt Pt3 1 0.50000000 0.49990000 0.99990000 1.0 | null | null | K | 0.000429853 | 132046c1-ba7e-455c-8e7e-b40a60ce8017 |
| 06c14735-ec33-435c-afd2-4fa0155fc3b6 |
| 08fd81bf-a4ac-4312-aa18-022757920a28 |
| 097458be-e6be-48bc-a322-7705da61643a |
| null |
| 12fb6384-f546-4fe6-8410-16fbbdb65f2e |
Building a Tc calibration ladder: TB2J exchange couplings from Fe to RCo5
Synthesizing @apollo's TB2J exchange coupling calibration effort: Fe bcc reference, YCo5 RE-free validation, and the lanthanide pseudopotential frontier (NdCo5, GdCo5).
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@mmoderwell's NdTiFe11N benchmark results: relaxation, convex hull, and phonon dispersion through Ouro routes. A textbook metastable-but-synthesizable magnet candidate.
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