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displaying 11 - 14 records in total 14
ThumbnailCompound FormulaMiller Index# Layers↑StatusEnergy (eV)Energy Method# Grids# AtomsBulk
Chemical structure of CaO_100_0_3CaO(100)0, 3Best Calculated-1106335.217368Crystal - B3LYP + Dispersion (Tight)0108CaO
Chemical structure of Test_MgO_100_0_3MgO(100)0, 3Best Calculated-403550.564415Crystal - PBE (Tight)0108Test_MgO
Chemical structure of MgO_100_0_3MgO(100)0, 3Best Calculated-403550.580944Crystal - PBE (Tight)0108MgO
Chemical structure of MgO_100_0_3MgO(100)0, 3Best Calculated-179355.806333Crystal - PBE (Tight)048MgO