Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -43.8198 eV; energy change = -51.8258 eV; symmetry: P1 → Cm
Magnet candidate: VFe2CoMo
Phase diagram of VFe2CoMo; eabovehull: 0.144141 eV/atom; predicted_stable: False
Phase diagram of TiFe2Co; eabovehull: 0.128370 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -43.7924 eV; energy change = -51.7971 eV; symmetry: P1 → Cm
Magnet candidate: VFe2CoMo
Phase diagram of Fe2Co; eabovehull: 0.003170 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -32.3421 eV; energy change = -10.3639 eV; symmetry: Pmm2 → P2/m
Magnet candidate: TiFe2Co
Phase diagram of TiFe2Co; eabovehull: 0.128339 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.1524 eV; energy change = -23.2488 eV; symmetry: Pmmm → I4/mmm
Magnet candidate: Fe2Co
Phase diagram of TiFe2CoW; eabovehull: 0.194148 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -32.3420 eV; energy change = -10.3637 eV; symmetry: Pmm2 → P2/m
Magnet candidate: TiFe2Co
Phase diagram of Fe2CoMo; eabovehull: 0.147387 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -44.8692 eV; energy change = -59.1089 eV; symmetry: P1 → Cm
Magnet candidate: TiFe2CoW
Phase diagram of Fe2Co; eabovehull: 0.817839 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -34.4160 eV; energy change = -12.6908 eV; symmetry: Pmm2 → P2/m