Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -44.8692 eV; energy change = -59.1089 eV; symmetry: P1 → Cm
Magnet candidate: TiFe2CoW
Phase diagram of Fe2Co; eabovehull: 0.817839 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -34.4160 eV; energy change = -12.6908 eV; symmetry: Pmm2 → P2/m
Magnet candidate: Fe2CoMo
Phase diagram of FeCo; eabovehull: 0.836390 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -21.7084 eV; energy change = -20.8048 eV; symmetry: Pmmm → Pmmm
Magnet candidate: Fe2Co
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 Fe2CoW; eabovehull: 0.166539 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -36.4723 eV; energy change = -12.9777 eV; symmetry: Pmm2 → P2/m
Magnet candidate: Fe2CoW
Phase diagram of Fe2Co; eabovehull: 0.040973 eV/atom; predicted_stable: False
Phase diagram of VFe3Co; eabovehull: 0.013224 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0389 eV; energy change = -10.9614 eV; symmetry: Pmm2 → Fmmm
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.040928 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -42.0920 eV; energy change = -47.1909 eV; symmetry: P1 → R3m
Magnet candidate: VFe3Co