Ggen exploration (exploration_Co-Fe-Mn_20260103_082846)
Interstitially doped with C at ~1.0%; supercell [3, 3, 3]; dopant atoms = 3
Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -5.79 THz
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.84 THz
Phase diagram of Mn5Fe2Co5; eabovehull: 0.168114 eV/atom; predicted_stable: False