Crystal structure for FeN generated by GPSK-01 (1.2B DiT). 27 sites, min distance 1.614A.
Crystal structure for FeN generated by GPSK-01 (1.2B DiT). 23 sites, min distance 1.884A.
Crystal structure for Ba2MnNiO6 generated by GPSK-01 (1.2B DiT). 92 sites, min distance 1.515A.
Crystal structure for SiO2 generated by GPSK-01 (1.2B DiT). 29 sites, min distance 1.89A.
Crystal structure for FeCoNi generated by GPSK-01 (1.2B DiT). 24 sites, min distance 1.252A.
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -170.7902 eV; energy change = -73.8972 eV; symmetry: P1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -674.4514 eV; energy change = -133.4282 eV; symmetry: P1 → P1
Crystal structure for FeNiCoPt generated by GPSK-01 (1.2B DiT). 25 sites, min distance 1.115A.
Crystal structure for Nd2Fe14B generated by GPSK-01 (1.2B DiT). 89 sites, min distance 1.668A.
FePt (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)
MatterGen generated FeNi4 crystal (space group: I4/m #87, crystal system: tetragonal)
Nd2Fe14B (space group: Pma2 #28, crystal system: orthorhombic, point group: mm2) (missed expected composition: Nd2Fe14B)
Phase diagram of Fe; eabovehull: 0.131218 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -944.8571 eV; energy change = -1878.3887 eV; symmetry: P1 → P1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -249.0482 eV; energy change = -30.2554 eV; symmetry: P1 → Pmma
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -181.1428 eV; energy change = -894.4227 eV; symmetry: P1 → P1
Phase diagram of Nd15Fe89; eabovehull: 0.159609 eV/atom; predicted_stable: False