Surfaces

Miller Index
Status
Grid
displaying 1 - 10 records in total 14
ThumbnailCompound FormulaMiller Index# LayersStatusEnergy (eV)Energy Method# Grids↓# AtomsBulk
Chemical structure of MgO_100_3_0MgO(100)3, 0Published06MgO
Chemical structure of MgO_100_3_0MgO(100)3, 0Published06MgO
Chemical structure of IP unit cell_100_5_5O2Si(100)5, 5Published010IP unit cell
Chemical structure of MgO_100_0_3MgO(100)0, 3Best Calculated-179355.806333Crystal - PBE (Tight)048MgO
Chemical structure of Magnesium Oxide_100_0_3MgO(100)0, 3Best Calculated-403550.580779Crystal - PBE (Tight)0108Magnesium Oxide
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-1104412.265817Crystal - PBE + Dispersion (Tight)0108CaO
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