Phase diagram of K2(FeS)5 with Orb v3 conservative inf MPA; e_above_hull: 0.000000 eV/atom; predicted_stable: True
Created by route
Calculate energy above the convex hull
template-K2(FeS)5 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -146.4671 eV; energy change = -4.2256 eV; symmetry: I4/m → I4/m