Phase diagram of MnFe5N2; e_above_hull: 0.329341 eV/atom; predicted_stable: False
GEPA-iteration-22-v01.cif - relaxed
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -265.3222 eV; energy change = -47.5424 eV; symmetry: P4 → P1
Created by route
Calculate energy above the convex hull