Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.1523 eV; energy change = -23.2488 eV; symmetry: Pmmm → I4/mmm
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 1.030014 eV/atom; predicted_stable: False
Magnet candidate: Fe2Co
Phase diagram of VFeCo; eabovehull: 0.110030 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -21.0721 eV; energy change = -9.8832 eV; symmetry: Pmm2 → Pmm2
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.7812 eV; energy change = -4.6465 eV; symmetry: Pmm2 → Fmm2
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.003163 eV/atom; predicted_stable: True
Magnet candidate: VFeCo
Phase diagram of Fe2Co; eabovehull: 0.817787 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.1523 eV; energy change = -23.2488 eV; symmetry: Pmmm → I4/mmm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -21.7084 eV; energy change = -20.8048 eV; symmetry: Pmmm → Pmmm
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 1.030116 eV/atom; predicted_stable: False
Magnet candidate: Fe2Co
Phase diagram of FeCo; eabovehull: 0.836430 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -21.0719 eV; energy change = -9.8831 eV; symmetry: Pmm2 → Pmm2
Magnet candidate: Fe2Co
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9941 eV; energy change = -3.9353 eV; symmetry: P4/mmm → P4/mmm