Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -111.2538 eV; energy change = -38.8208 eV; symmetry: P4/m → P1
Crystal structure generated by GEPA optimization (iteration 2)
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.81 THz
Phase diagram of Mn8Al8C; e_above_hull: 0.315834 eV/atom; predicted_stable: False