Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -122.7765 eV; energy change = -43.4026 eV; symmetry: P1 → P-1
Crystal structure generated by GEPA optimization (iteration 11)
Phase diagram of Mn3Fe3N; e_above_hull: 0.069985 eV/atom; predicted_stable: False