Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -66.5495 eV; energy change = -22.6214 eV; symmetry: P1 → Pm
Crystal structure generated by GEPA optimization (iteration 11)
Phase diagram of Mn2Fe5B; e_above_hull: 0.225737 eV/atom; predicted_stable: False