crystals.Lattice

class crystals.Lattice(lattice_vectors: _SupportsArray[dtype[Any]] | _NestedSequence[_SupportsArray[dtype[Any]]] | bool | int | float | complex | str | bytes | _NestedSequence[bool | int | float | complex | str | bytes], **kwargs)

Container class for lattice information and manipulations.

Instances can also be create from the standard ‘three lengths and angles’ parameters via Lattice.from_parameters:

Parameters:

lattice_vectors (iterable of ~numpy.ndarray, shape (3,)) – Lattice vectors.

__init__(lattice_vectors: _SupportsArray[dtype[Any]] | _NestedSequence[_SupportsArray[dtype[Any]]] | bool | int | float | complex | str | bytes | _NestedSequence[bool | int | float | complex | str | bytes], **kwargs)

Methods

__array__(*args, **kwargs)	Returns a 3x3 float array in which each row is a lattice vector
__delattr__(name, /)	Implement delattr(self, name).
__dir__()	Default dir() implementation.
__eq__(other)	Return self==value.
__format__(format_spec, /)	Default object formatter.
__ge__(value, /)	Return self>=value.
__getattribute__(name, /)	Return getattr(self, name).
__gt__(value, /)	Return self>value.
__hash__()	Return hash(self).
__init__(lattice_vectors, **kwargs)
__init_subclass__	This method is called when a class is subclassed.
__le__(value, /)	Return self<=value.
__lt__(value, /)	Return self<value.
__ne__(value, /)	Return self!=value.
__new__(**kwargs)
__reduce__()	Helper for pickle.
__reduce_ex__(protocol, /)	Helper for pickle.
__repr__()	Return repr(self).
__setattr__(name, value, /)	Implement setattr(self, name, value).
__sizeof__()	Size of object in memory, in bytes.
__str__()	Return str(self).
__subclasshook__	Abstract classes can override this to customize issubclass().
bounded_reflections(bound[, min_bound])	Generates reflections (hkl) with norm(G) <= bound
frac_mesh(*xi[, indexing])	Coordinate arrays for fractional coordinates.
from_parameters(a, b, c, alpha, beta, gamma)	Create a Lattice instance from three lengths and angles.
mesh(*xi[, indexing])	Cartesian coordinate arrays from fractional coordinate vectors.
miller_indices(scattering_vector)	Miller indices from scattering vector components.
scattering_vector(reflection)	Scattering vector from Miller indices.

Attributes

__annotations__
lattice_parameters	Lattice parameters as three lengths [Å] and three angles [degrees].
lattice_system	One of the seven lattice system, returned in the form of the LatticeSystem enumeration.
lattice_vectors	Iterable of lattice vectors
periodicity	Crystal periodicity in x, y and z direction from the lattice constants.
reciprocal	Reciprocal lattice
reciprocal_vectors	Reciprocal lattice vectors, defined as:
volume	Lattice cell volume Angtroms cubed