RocksaltStructure

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

Bases: sknano.core.structures.CubicStructure

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.