Phase diagram of TlNiCl3 with Orb v3 conservative inf MPA; e_above_hull: 0.001010 eV/atom; predicted_stable: True
template-TlNiCl3 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -34.9361 eV; energy change = -0.0212 eV; symmetry: P63/mmc → P63/mmc
Created by route
Calculate energy above the convex hull