Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0830 eV; energy change = -23.1794 eV; symmetry: Pmmm → P-3m1

Magnet candidate: Fe2Co

Phase diagram of Fe2Co; eabovehull: 0.817721 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -26.0729 eV; energy change = -5.2547 eV; symmetry: Pmm2 → I4mm

Magnet candidate: FeCoMo

Phase diagram of Fe2Co; eabovehull: 0.003127 eV/atom; predicted_stable: True

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -21.7087 eV; energy change = -20.8051 eV; symmetry: Pmmm → Pmmm

Magnet candidate: Fe2Co

Phase diagram of Fe2CoW; eabovehull: 0.058694 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.1525 eV; energy change = -23.2489 eV; symmetry: Pmmm → I4/mmm

Magnet candidate: Fe2Co

Phase diagram of VFeCo; eabovehull: 0.109999 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -36.9033 eV; energy change = -78.2678 eV; symmetry: Pmmm → P4/mmm

Magnet candidate: Fe2CoW

Phase diagram of Fe2Co; eabovehull: 0.817766 eV/atom; predicted_stable: False

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.7814 eV; energy change = -4.6467 eV; symmetry: Pmm2 → Fmm2

Magnet candidate: VFeCo

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: Fe2Co

Phase diagram of VFeCo; eabovehull: 5.298891 eV/atom; predicted_stable: False