Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -14.0965 eV; energy change = -2.0481 eV; symmetry: P4/mmm → P4/mmm
Magnet candidate: FeCo
Phase diagram of TiFeCo; eabovehull: 3.708784 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.2344 eV; energy change = -0.2823 eV; symmetry: R3m → R3m
Magnet candidate: TiFeCo
Phase diagram of TiFeCo; eabovehull: 3.168413 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -14.7972 eV; energy change = -3.9071 eV; symmetry: P1 → P1
Magnet candidate: TiFeCo
Phase diagram of FeCoW; eabovehull: 4.898320 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.8868 eV; energy change = 0.9014 eV; symmetry: Pmm2 → Pm
Magnet candidate: FeCoW
Phase diagram of FeCo; eabovehull: 0.785398 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -14.0964 eV; energy change = -2.0480 eV; symmetry: P4/mmm → P4/mmm
Magnet candidate: FeCo
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -39.9393 eV; energy change = -28.6863 eV; symmetry: P1 → Cm
Magnet candidate: MnCrFeCoNi
Phase diagram of Fe2CoWN; eabovehull: 5.846345 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -16.8179 eV; energy change = 10.3398 eV; symmetry: P1 → P1
Magnet candidate: Fe2CoWN
Phase diagram of SmFe4IrC; eabovehull: 0.798917 eV/atom; predicted_stable: False