Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -139.8431 eV; energy change = -28.1355 eV; symmetry: P4 → P2
Crystal structure generated by GEPA optimization (iteration 23)
Phase diagram of Fe3BN; e_above_hull: 1.187436 eV/atom; predicted_stable: False