Magnet candidate: Fe2Co
Phase diagram of Fe2CoMo; eabovehull: 0.150741 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -34.4027 eV; energy change = -11.9631 eV; symmetry: Pmm2 → Pmm2
Magnet candidate: Fe2CoMo
Phase diagram of FeCo; eabovehull: 0.836419 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9940 eV; energy change = -3.8102 eV; symmetry: P4/mmm → P4/mmm
Magnet candidate: FeCo
Phase diagram of FeCo; eabovehull: 0.836441 eV/atom; predicted_stable: False
Phase diagram of Fe2Co; eabovehull: 0.003254 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 = -24.1523 eV; energy change = -23.2487 eV; symmetry: Pmmm → I4/mmm
Magnet candidate: FeCo
Phase diagram of FeCo; eabovehull: 0.836522 eV/atom; predicted_stable: False
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.026385 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9944 eV; energy change = -3.9358 eV; symmetry: P4/mmm → P4/mmm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0826 eV; energy change = -23.1790 eV; symmetry: Pmmm → P-3m1
Magnet candidate: FeCo
Phase diagram of FeCo; eabovehull: 0.836439 eV/atom; predicted_stable: False
Magnet candidate: Fe2Co