ASE Manual Release 3.6.1.2825 CAMd - CampOS Wiki

7.9.6 General crystal structures and surfaces
ASE Manual, Release 3.6.1.2828
Modules for creating crystal structures are found in the module lattice. Most Bravais lattices are implemented,
as are a few important lattices with a basis. The modules can create lattices with any orientation (see below). These
modules can be used to create surfaces with any crystal structure and any orientation by later adding a vacuum
layer with lattice.surface.add_vacuum().
Example
To set up a slab of FCC copper with the [1,-1,0] direction along the x-axis, [1,1,-2] along the y-axis and [1,1,1]
along the z-axis, use:
7.9. Creating atomic structures 93