Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -114.8753 eV; energy change = -49.9643 eV; symmetry: P-1 → P1
Crystal structure generated by GEPA optimization (iteration 2)
Phase diagram of MnFe4BN; e_above_hull: 0.424814 eV/atom; predicted_stable: False