Here translucent van der Waals spheres are used to illustrate the corrugation of the Ag surface. This may take some time, depending on the size of the crystal cell. Click “Build” to start the surface generation.Īfter clicking “Build,” Avogadro will generate a large supercell, align, rotate, and cleave the designated surface. This feature allows easy alignment between a new surface and a molecule for surface interaction calculations. The generated surface is aligned in the XY plane, and a specified thickness will be cleaved in the z-axis below the XY plane. Specify the indices of the Miller plane desired (for hexagonal unit cells, all 4 indices will appear), and choose the dimensions in either distances or repeating cells of the resulting surface. Future crystal builders (e.g., nanoparticles, supercells) will also appear in this menu. To build a specified surface (e.g., Ag ) choose Crystallography > Build > Slab... to bring up the slab builder settings. Importing a crystal will show the asymmetric unit cell (e.g., one atom for Silver here). Click “Insert” to import the selected structure. Choose File > Import > Crystal to bring up the library.Įither browse through the crystals, or type a filter – by element or name. The tutorial will assume you import a structure from the Avogadro library.
Import the appropriate crystal structure.Įither open a CIF file with the crystal structure needed, or import one from the built-in Avogadro crystal library. Build up a crystal surface, e.g., Pt for a defined Miller Plane.