Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -15.3823 eV; energy change = -6.7005 eV; symmetry: P3m1 → P-6m2
Phase diagram of Fe2Co; eabovehull: 0.657101 eV/atom; predicted_stable: False
Magnet candidate: FeCo
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -22.1914 eV; energy change = -3.2075 eV; symmetry: Pmm2 → Pmm2
Phase diagram of FeCo; eabovehull: 0.836442 eV/atom; predicted_stable: False
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.657075 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9943 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 = -22.1912 eV; energy change = -3.2073 eV; symmetry: Pmm2 → Pmm2
Phase diagram of FeCo; eabovehull: 0.836442 eV/atom; predicted_stable: False
Magnet candidate: Fe2Co
Phase diagram of VFeCo; eabovehull: 0.109981 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
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.7816 eV; energy change = -4.6469 eV; symmetry: Pmm2 → Fmm2
Magnet candidate: FeCo
Phase diagram of TiFeCo; eabovehull: 0.097302 eV/atom; predicted_stable: False
Magnet candidate: VFeCo
Phase diagram of Fe2Co; eabovehull: 0.657083 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0678 eV; energy change = -4.7216 eV; symmetry: Pmm2 → I4mm