Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -5.8643 eV; energy change = 10.6050 eV; symmetry: Pm-3m → P1
Crystal structure generated by GEPA optimization (iteration 4)
Phase diagram of Al3FeSi; e_above_hull: 4.149892 eV/atom; predicted_stable: False