Crystal structure for MnV2P2O7 generated by GPSK-300 (3-channel reciprocal-space DiT). 12 sites, min distance 0.836A, selected from 3 candidates.
Phase diagram of Gd10Mg9Sn5; eabovehull: 0.030306 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -180.5889 eV; energy change = -45.8368 eV; symmetry: P1 → Pm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -27.9508 eV; energy change = -1.1675 eV; symmetry: Cm → I-4m2
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -38.7488 eV; energy change = -0.0170 eV; symmetry: Cmmm → Cmmm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -35.9209 eV; energy change = -0.0312 eV; symmetry: Cmmm → Cmmm
Crystal structure CIF fetched from Materials Project for mp-7692
Crystal structure CIF fetched from Materials Project for mp-3805
Crystal structure CIF fetched from Materials Project for mp-7892
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -63.9388 eV; energy change = -7.7039 eV; symmetry: Pm → Pm
Crystal structure for Fe6CoSi generated by GPSK-300 (3-channel reciprocal-space DiT). 8 sites, min distance 1.756A, selected from 14 candidates.
Phase diagram of FeCoNiPt; eabovehull: 0.000000 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -27.9508 eV; energy change = -1.1675 eV; symmetry: Cm → I-4m2
Crystal structure for FeCoNiPt generated by GPSK-300 (3-channel reciprocal-space DiT). 4 sites, min distance 2.363A, selected from 3 candidates.
ICSD-anchored Cr2AlB2 CIF. Space group Cmmm (No. 65), a=2.918, b=10.93, c=2.920 Å. ICSD 619207, Yubuta et al. 2000. Mn atoms at 4h (0,y,0) with y≈0.144 and 0.356. For MAB phase permanent magnet screening — Gate 1 reference structure. See post:019d9363.
ICSD-anchored Fe2AlB2 CIF. Space group Cmmm (No. 65), a=2.911, b=10.96, c=2.913 Å. ICSD 614706, Bao et al. 2014. FM below 290 K — highest Tc of the Fe/Mn/Cr MAB series. For MAB phase permanent magnet screening — Gate 1 reference structure. See post:019d9363.
ICSD-anchored Mn2AlB2 CIF. Space group Cmmm (No. 65), a=2.922, b=11.06, c=2.923 Å. ICSD 262995, Jeon et al. 2001. Mn atoms at 4h (0,y,0) with y≈0.145 and 0.355. For MAB phase permanent magnet screening — Gate 1 reference structure. See post:019d9363.
Crystal structure CIF fetched from Materials Project for mp-3805
Crystal structure CIF fetched from Materials Project for mp-7892