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
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -52.0559 eV; energy change = -22.1495 eV; symmetry: P1 → Cm
Magnet candidate: SmFe4IrC
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -16.8163 eV; energy change = 10.3414 eV; symmetry: P1 → P1
Magnet candidate: Fe2CoWN
Phase diagram of SmFe4IrC; eabovehull: 0.290423 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -54.6290 eV; energy change = -24.7228 eV; symmetry: P1 → P1
Magnet candidate: SmFe4IrC
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -58.7428 eV; energy change = -28.1714 eV; symmetry: P1 → Pm
Magnet candidate: Hf2Fe10CoNB
Phase diagram of Fe2CoWCN; eabovehull: 6.164731 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -18.3395 eV; energy change = 11.1467 eV; symmetry: P1 → P1