Phase diagram of TiFe3N; eabovehull: 0.948010 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -40.1457 eV; energy change = -12.8558 eV; symmetry: P1 → P1
Magnet candidate: TiFe3N
Phase diagram of GaFeN; eabovehull: 0.561144 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -19.0515 eV; energy change = -1.3163 eV; symmetry: P4/mmm → P4/mmm
Magnet candidate: GaFeN
Phase diagram of Mn5Fe13; eabovehull: 0.032657 eV/atom; predicted_stable: False
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -6.24 THz
Ggen exploration (explorationCo-Fe-Mn20260103_185212)
Phase diagram of Mn11Fe3Co2; eabovehull: 0.018351 eV/atom; predicted_stable: True
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.05 THz
Supercell 2x2x2 of Mn11Fe3Co2 (Space group: Amm2, 64 symmetry operations)
Ggen exploration (explorationCo-Fe-Mn20260103_185212)
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