sknano.generators.RocksaltStructureGenerator.from_spacegroup

RocksaltStructureGenerator.from_spacegroup(sg, lattice=None, basis=None, coords=None, **kwargs)

Return a Crystal3DStructure from a spacegroup number/symbol.

Parameters:

sg : int or str

lattice : Crystal3DLattice

basis : list of strs

coords : list of floats

Returns:

Crystal3DStructure

See also

pymatgen_structure

Notes

Under the hood this method generates a pymatgen.core.Structure