Magnet candidate: TiFeCo
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -22.1909 eV; energy change = -3.2071 eV; symmetry: Pmm2 → Pmm2
Phase diagram of FeCo; eabovehull: 0.836456 eV/atom; predicted_stable: False
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.003168 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9942 eV; energy change = -3.8104 eV; symmetry: P4/mmm → P4/mmm
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: FeCo
Phase diagram of FeCoMo; eabovehull: 0.147081 eV/atom; predicted_stable: False
Magnet candidate: Fe2Co
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -26.0720 eV; energy change = -5.2539 eV; symmetry: Pmm2 → I4mm
Magnet candidate: FeCoMo
Phase diagram of Fe2Co; eabovehull: 0.041018 eV/atom; predicted_stable: False
Phase diagram of FeCo; eabovehull: 0.836444 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0391 eV; energy change = -23.1355 eV; symmetry: Pmmm → Fmmm
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.026406 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9940 eV; energy change = -3.8103 eV; symmetry: P4/mmm → P4/mmm
Magnet candidate: FeCo
Phase diagram of FeCo; eabovehull: 0.836432 eV/atom; predicted_stable: False