Magnet candidate: Fe2Co
Phase diagram of FeCo; eabovehull: 0.070743 eV/atom; predicted_stable: False
Phase diagram of Fe2Co; eabovehull: 0.003257 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -31.0505 eV; energy change = -91.9488 eV; symmetry: P4mm → C2/m
Magnet candidate: FeCo
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