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
Phase diagram of Fe2Co; eabovehull: 0.657137 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.7817 eV; energy change = -4.6470 eV; symmetry: Pmm2 → Fmm2
Magnet candidate: VFeCo
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -22.1910 eV; energy change = -3.2071 eV; symmetry: Pmm2 → Pmm2
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.656851 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -22.1913 eV; energy change = -3.2075 eV; symmetry: Pmm2 → Pmm2
Phase diagram of Fe2Co; eabovehull: 1.030294 eV/atom; predicted_stable: False
Magnet candidate: Fe2Co
Phase diagram of NbFe2Co; eabovehull: 0.093748 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -21.0717 eV; energy change = -9.6986 eV; symmetry: Pmm2 → Pmm2
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 1.030045 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -34.1958 eV; energy change = -73.3524 eV; symmetry: Pmmm → P4/mmm
Magnet candidate: NbFe2Co
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -21.0719 eV; energy change = -9.6988 eV; symmetry: Pmm2 → Pmm2
Phase diagram of Fe2Co; eabovehull: 0.657104 eV/atom; predicted_stable: False