RocksaltStructure¶

class sknano.core.structures.RocksaltStructure(lattice=None, basis=['Na', 'Cl'], **kwargs)[source] [edit on github][source]¶

Abstract representation of rock salt structure.

Attributes

`atoms`	Structure `Atoms`.
`basis`	Structure `BasisAtoms`.
`crystal_cell`	Structure `CrystalCell`.
`fmtstr`	Format string.
`lattice`	Structure `Crystal3DLattice`.
`lattice_shift`	Lattice displacement vector.
`scaling_matrix`	`CrystalCell.scaling_matrix`.
`structure`	An alias to `self`.
`unit_cell`	Structure `UnitCell`.

Methods

`clear`()	Clear list of `StructureMixin.atoms`.
`from_pymatgen_structure`(structure)	Return a `Crystal3DStructure` from a `pymatgen.core.Structure`.
`from_spacegroup`(*args[, lattice, basis, ...])	Return `CubicStructure` from spacegroup.
`get_lattice`([name, centering, basis])	Return cubic lattice.
`make_supercell`(scaling_matrix[, wrap_coords])	Make supercell.
`rotate`(**kwargs)	Rotate crystal cell lattice, basis, and unit cell.
`todict`()	Return `dict` of constructor parameters.
`transform_lattice`(scaling_matrix[, ...])	Transform structure lattice.
`translate`(t[, fix_anchor_points])	Translate crystal cell lattice, basis, and unit cell.