Phase diagram of Ba3Ni10O17 with Orb v3 conservative inf MPA; e_above_hull: 0.407491 eV/atom; predicted_stable: False
Created by route
Calculate energy above the convex hull
template-Ba3Ni10O17 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -151.8376 eV; energy change = -0.7520 eV; symmetry: R-3m → R-3m