Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0829 eV; energy change = -23.1793 eV; symmetry: Pmmm → P-3m1
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.657136 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9941 eV; energy change = -3.8104 eV; symmetry: P4/mmm → P4/mmm
Magnet candidate: FeCo
Phase diagram of NbFe2Co; eabovehull: 0.108348 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -22.1912 eV; energy change = -3.2073 eV; symmetry: Pmm2 → Pmm2
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.003172 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -34.1378 eV; energy change = -73.2959 eV; symmetry: Pmmm → P4/mmm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.1523 eV; energy change = -23.2487 eV; symmetry: Pmmm → I4/mmm
Magnet candidate: NbFe2Co
Phase diagram of FeCo; eabovehull: 0.836373 eV/atom; predicted_stable: False
Magnet candidate: Fe2Co
Phase diagram of TiFeCo; eabovehull: 5.432061 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9942 eV; energy change = -3.8105 eV; symmetry: P4/mmm → P4/mmm
Magnet candidate: FeCo
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -8.0638 eV; energy change = 5.3787 eV; symmetry: P3m1 → P3m1
Phase diagram of TiFeCo; eabovehull: 0.097257 eV/atom; predicted_stable: False
Magnet candidate: TiFeCo