Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -99.4014 eV; energy change = -24.0962 eV; symmetry: P1 → P1
Crystal structure generated by GEPA optimization (iteration 16)
Phase diagram of MnFe9BN; e_above_hull: 0.264575 eV/atom; predicted_stable: False