Crystal2DStructure

class sknano.core.structures.Crystal2DStructure(lattice=None, basis=None, coords=None, cartesian=False, scaling_matrix=None, structure=None, **kwargs)[source] [edit on github][source]

Bases: sknano.core.structures.CrystalStructureBase

Base class for 2D crystal structures.

Warning

The implementation of this class is not complete.

Parameters:

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) Classmethod to generate structure using pymatgen.
from_spacegroup(sg[, lattice, basis, coords]) Return a Crystal2DStructure from a spacegroup number/symbol.
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.

Methods Summary

from_pymatgen_structure(structure) Classmethod to generate structure using pymatgen.
from_spacegroup(sg[, lattice, basis, coords]) Return a Crystal2DStructure from a spacegroup number/symbol.

Methods Documentation

classmethod from_pymatgen_structure(structure)[source] [edit on github][source]

Classmethod to generate structure using pymatgen.

classmethod from_spacegroup(sg, lattice=None, basis=None, coords=None, **kwargs)[source] [edit on github][source]

Return a Crystal2DStructure from a spacegroup number/symbol.

Parameters:
Returns:

Return type:

Crystal2DStructure

Notes

Under the hood this method first creates a pymatgen Structure