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: I4_1/amd → I4_1/amd
mp-390 TiO2 anatase.cif
.cif file4moTiO2 phase diagram
.html filePhase diagram of TiO2; e_above_hull: 0.003695 eV/atom; predicted_stable: False
4mo
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