Phase diagram of TiFeCo; eabovehull: 5.432069 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -8.0638 eV; energy change = 5.3787 eV; symmetry: P3m1 → P3m1
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0828 eV; energy change = -23.1792 eV; symmetry: Pmmm → P-3m1
Magnet candidate: TiFeCo
Phase diagram of VFe3Co; eabovehull: 0.013097 eV/atom; predicted_stable: True
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.040908 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -42.0925 eV; energy change = -91.1592 eV; symmetry: Pmmm → R3m
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -24.0392 eV; energy change = -23.1356 eV; symmetry: Pmmm → Fmmm
Magnet candidate: VFe3Co
Phase diagram of VFeCo; eabovehull: 5.298893 eV/atom; predicted_stable: False
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.635877 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -9.2149 eV; energy change = 4.7594 eV; symmetry: P3m1 → P3m1
Magnet candidate: VFeCo
Phase diagram of Fe3CoMo; eabovehull: 0.106045 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -22.2544 eV; energy change = -1.9737 eV; symmetry: P4/mmm → P4/mmm
Magnet candidate: Fe2Co
Phase diagram of Fe2Co; eabovehull: 0.003250 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -42.9473 eV; energy change = -109.4758 eV; symmetry: Pmmm → Cm