Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0678 eV; energy change = -4.7217 eV; symmetry: Pmm2 → I4mm

Magnet candidate: TiFeCo

Phase diagram of Fe2Co; eabovehull: 0.003112 eV/atom; predicted_stable: True

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.1522 eV; energy change = -23.2486 eV; symmetry: Pmmm → I4/mmm

Phase diagram of Fe2Co; eabovehull: 0.003203 eV/atom; predicted_stable: True

Magnet candidate: Fe2Co

Phase diagram of Fe2Co; eabovehull: 0.026425 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.1526 eV; energy change = -23.2490 eV; symmetry: Pmmm → I4/mmm

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0828 eV; energy change = -23.1792 eV; symmetry: Pmmm → P-3m1

Magnet candidate: Fe2Co

Phase diagram of Fe2Co; eabovehull: 0.003245 eV/atom; predicted_stable: True

Magnet candidate: Fe2Co

Phase diagram of FeCoMo; eabovehull: 0.829280 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

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0264 eV; energy change = -3.2086 eV; symmetry: Pmm2 → Pmm2

Phase diagram of VFe2CoMo; eabovehull: 0.143959 eV/atom; predicted_stable: False

Magnet candidate: FeCoMo

Phase diagram of Fe2Co; eabovehull: 0.040929 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -43.7937 eV; energy change = -51.7997 eV; symmetry: P1 → Cm