Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -120.9075 eV; energy change = -5.3126 eV; symmetry: P6_3/mcm → C2/m
Fe12Mn2Bi2 (auto-selected space group: P6_3/mcm #193)
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -2.46 THz
Phase diagram of MnFe6Bi; e_above_hull: 0.392019 eV/atom; predicted_stable: False