Phase diagram of TiO2; e_above_hull: 0.003695 eV/atom; predicted_stable: False
mp-390 TiO2 anatase.cif - relaxed 1
Relaxed with Orb v3; 0.01 eV/Å threshold; final energy = -107.6264 eV; energy change = -0.0026 eV; symmetry: I41/amd → I41/amd
Created by route
Calculate energy above the convex hull