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

Magnet candidate: Fe2Co

Phase diagram of Fe2Co; eabovehull: 0.510537 eV/atom; predicted_stable: False

Phase diagram of FeCoMo; eabovehull: 5.546307 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -22.6299 eV; energy change = -21.7263 eV; symmetry: Pmmm → P4/mmm

Magnet candidate: Fe2Co

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -9.8751 eV; energy change = 4.4203 eV; symmetry: P3m1 → P3m1

Phase diagram of Fe2Co; eabovehull: 0.817863 eV/atom; predicted_stable: False

Magnet candidate: FeCoMo

Phase diagram of FeCoMo; eabovehull: 5.546307 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -9.8751 eV; energy change = 4.4203 eV; symmetry: P3m1 → P3m1

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -21.7086 eV; energy change = -20.8050 eV; symmetry: Pmmm → Pmmm

Magnet candidate: FeCoMo

Phase diagram of TaFeCo; eabovehull: 0.290124 eV/atom; predicted_stable: False

Magnet candidate: Fe2Co

Phase diagram of VFe2CoNi; eabovehull: 0.112710 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -27.1698 eV; energy change = -17.6591 eV; symmetry: Amm2 → P-6m2

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -39.0833 eV; energy change = -16.8595 eV; symmetry: P1 → Cm

Magnet candidate: TaFeCo

Phase diagram of FeCoW; eabovehull: 6.152567 eV/atom; predicted_stable: False