Phase#

Symmetry and unit cell of a phase in a crystallographic map.

The phase can be crystallographic or non-crystallographic, with the latter not having a crystal structure or symmetry set.

Parameters:

name: Phase name. Overwrites the name in the structure. A phase can also be given, in which case a copy is returned and all other parameters are ignored.
space_group: Space group describing the symmetry operations resulting from associating the point group with a Bravais lattice, according to the International Tables for Crystallography. If not given, it is set to None.
point_group: Point group describing the symmetry operations of the phase’s crystal structure, according to the International Tables for Crystallography. If neither this nor space_group is given, it is set to None. If not given but space_group is, it is derived from the space group. If both this and space_group is given, the space group must to be derived from adding translational symmetry to the point group.
structure: Unit cell with atoms and a lattice. If not given, a default Structure compatible with the symmetry is used.
color: Phase color. If not given, it is set to the first default Matplotlib color “tab:blue”.

Attributes

`Phase.a_axis`	Return the direct lattice vector \(a\) in the cartesian reference frame of the crystal lattice \(e_i\).
`Phase.ar_axis`	Return the reciprocal lattice vector \(a^{*}\) in the cartesian reference frame of the crystal lattice \(e_i\).
`Phase.b_axis`	Return the direct lattice vector \(b\) in the cartesian reference frame of the crystal lattice \(e_i\).
`Phase.br_axis`	Return the reciprocal lattice vector \(b^{*}\) in the cartesian reference frame of the crystal lattice \(e_i\).
`Phase.c_axis`	Return the direct lattice vector \(c\) in the cartesian reference frame of the crystal lattice \(e_i\).
`Phase.color`	Return or set the phase color name.
`Phase.color_rgb`	Return the phase color as RGB tuple.
`Phase.cr_axis`	Return the reciprocal lattice vector \(c^{*}\) in the cartesian reference frame of the crystal lattice \(e_i\).
`Phase.is_hexagonal`	Return whether the crystal structure is hexagonal/trigonal or not.
`Phase.name`	Return or set the phase name.
`Phase.point_group`	Return or set the point group.
`Phase.space_group`	Return or set the space group.
`Phase.structure`	Return or set the crystal structure containing a lattice (`Lattice`) and possibly many atoms (`Atom`).

Methods

`Phase.deepcopy`()	Return a deep copy using `deepcopy()` function.
`Phase.expand_asymmetric_unit`()	Return a new phase with all symmetrically equivalent atoms.
`Phase.from_cif`(filename)	Return a new phase from a Crystallographic Information File (CIF).