Phase diagram of Mn(Fe4Co3)2; eabovehull: 0.028064 eV/atom; predicted_stable: False
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz
Supercell 3x3x3 of Mn(Fe4Co3)2 (Space group: Cm, 108 symmetry operations)
Ggen exploration (explorationCo-Fe-Mn20260103_185212)
Phase diagram of FeCo; eabovehull: 0.836376 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -13.9941 eV; energy change = -3.8104 eV; symmetry: P4/mmm → P4/mmm
Magnet candidate: FeCo
Phase diagram of FeCo; eabovehull: 0.836373 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
Phase diagram of VFe2CoNi; eabovehull: 0.112638 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -39.0836 eV; energy change = -16.8598 eV; symmetry: P1 → Cm
Magnet candidate: VFe2CoNi
Phase diagram of FeCo; eabovehull: 0.836423 eV/atom; predicted_stable: False
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 Fe2Co; eabovehull: 0.664091 eV/atom; predicted_stable: False
Phase diagram of Fe2Co; eabovehull: 1.030122 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -22.1700 eV; energy change = -3.2365 eV; symmetry: Pmmm → Pmmm
Magnet candidate: Fe2Co