mp-390 TiO2 anatase.cif
- Calculate energy above hull
mp-390 TiO2 anatase.cif - relaxed 1
.cif fileRelaxed 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
4momp-390 TiO2 anatase.cif - relaxed
.cif fileRelaxed with Orb v3; 0.03 eV/Å threshold; final energy = -107.6264 eV; energy change = -0.0026 eV; symmetry: I4_1/amd → I4_1/amd
4mo
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