Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -471.5771 eV; energy change = -212.6642 eV; symmetry: P23 → P1
Crystal structure generated by GEPA optimization (iteration 17)
Phase diagram of MnFeBCN; e_above_hull: 1.023507 eV/atom; predicted_stable: False