Phase diagram of Fe3CuAs2 with Orb v3 conservative inf MPA; e_above_hull: 0.340105 eV/atom; predicted_stable: False
Fe3CuAs2 (Fe3CuAs2, 6 sites) — GPSK-300 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -37.4677 eV; energy change = -6.8060 eV; symmetry: P1 → C2
Created by route
Calculate energy above the convex hull