Phase diagram of MnCd4S5 with Orb v3 conservative inf MPA; e_above_hull: 0.008849 eV/atom; predicted_stable: True
Created by route
Calculate energy above the convex hull
template-MnCd4S5 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -39.5730 eV; energy change = -0.0053 eV; symmetry: R3m → R3m