Surfaces

Miller Index
Status
Grid
displaying 1 - 10 records in total 14
ThumbnailCompound FormulaMiller Index# LayersStatus↑Energy (eV)Energy Method# Grids# AtomsBulk
Chemical structure of Test_MgO_100_0_5MgO(100)0, 5Published-100.0Vasp Calculations Cu cluster0111Test_MgO
Chemical structure of MgO_100_0_3MgO(100)0, 3Best Calculated-179355.806333Crystal - PBE (Tight)048MgO
Chemical structure of MgO_100_0_3MgO(100)0, 3Published-403550.44Crystal - PBE (Tight)4108MgO
Chemical structure of Test_MgO_100_0_3MgO(100)0, 3Best Calculated-403550.564415Crystal - PBE (Tight)0108Test_MgO
Chemical structure of Magnesium Oxide_100_0_3MgO(100)0, 3Best Calculated-403550.580779Crystal - PBE (Tight)0108Magnesium Oxide
Chemical structure of MgO_100_0_3MgO(100)0, 3Best Calculated-403550.580944Crystal - PBE (Tight)0108MgO
Chemical structure of CaO_100_0_3CaO(100)0, 3Published-1104394.4Crystal - PBE (Tight)1108CaO
Chemical structure of CaO_100_0_3CaO(100)0, 3Best Calculated-1104412.265817Crystal - PBE + Dispersion (Tight)0108CaO
Chemical structure of CaO_100_0_3CaO(100)0, 3Best Calculated-1104412.267785Crystal - PBE + Dispersion (Tight)0108CaO
Chemical structure of CaO_100_0_3CaO(100)0, 3Best Calculated-1106335.217368Crystal - B3LYP + Dispersion (Tight)0108CaO