Phase diagram of Fe2Co; eabovehull: 0.657037 eV/atom; predicted_stable: False
Magnet candidate: FeCo
Phase diagram of FeCo; eabovehull: 0.836672 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -22.1911 eV; energy change = -3.2528 eV; symmetry: Pmm2 → Pmm2
Magnet candidate: Fe2Co
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9940 eV; energy change = -1.7938 eV; symmetry: P4/mmm → P4/mmm
Phase diagram of Fe2Co; eabovehull: 1.030115 eV/atom; predicted_stable: False
Magnet candidate: FeCo
Phase diagram of TiFeCo; eabovehull: 0.097176 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -21.0714 eV; energy change = -9.8826 eV; symmetry: Pmm2 → Pmm2
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.041107 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0676 eV; energy change = -4.7215 eV; symmetry: Pmm2 → I4mm
Magnet candidate: TiFeCo
Phase diagram of FeCo; eabovehull: 0.836592 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0386 eV; energy change = -6.3192 eV; symmetry: P1 → Fmmm
Magnet candidate: Fe2Co
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9939 eV; energy change = -1.7938 eV; symmetry: P4/mmm → P4/mmm
Magnet candidate: FeCo
Phase diagram of VFeCo; eabovehull: 0.109994 eV/atom; predicted_stable: False