Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -155.4034 eV; energy change = -26.8804 eV; symmetry: P4 → P1
Crystal structure generated by GEPA optimization (iteration 3)
Phase diagram of MnFe2SiB; e_above_hull: 0.281407 eV/atom; predicted_stable: False