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
Phase diagram of TiFe3Co; eabovehull: 0.103023 eV/atom; predicted_stable: False
Magnet candidate: FeCo
Phase diagram of Fe2CoMo; eabovehull: 0.084550 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -40.8291 eV; energy change = -49.5437 eV; symmetry: P1 → Cm
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -34.6670 eV; energy change = -73.3125 eV; symmetry: Pmmm → P4/mmm
Magnet candidate: TiFe3Co
Phase diagram of TiFe2CoMo; eabovehull: 0.175512 eV/atom; predicted_stable: False
Magnet candidate: Fe2CoMo
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -42.8207 eV; energy change = -53.9655 eV; symmetry: P1 → Cm
Magnet candidate: TiFe2CoMo
Phase diagram of VFe2Co; eabovehull: 0.082795 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -33.3384 eV; energy change = -9.7885 eV; symmetry: Pmm2 → P2/m
Magnet candidate: VFe2Co
Phase diagram of VFe2Co; eabovehull: 0.082809 eV/atom; predicted_stable: False
Phase diagram of VFe2CoMo; eabovehull: 0.144001 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -33.3385 eV; energy change = -9.7885 eV; symmetry: Pmm2 → P2/m
Magnet candidate: VFe2Co
Phase diagram of Fe2Co; eabovehull: 0.003213 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -43.7934 eV; energy change = -51.7980 eV; symmetry: P1 → Cm