PyMatGen Lattices

Important

This page provides a concise list of available properties and methods, grouped by topic.

Refer to Pymatgen's API docs for detailed descriptions.

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Introduction

To access the Lattice object from a Structure:

lattice = structure.lattice  

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Lattice Loading

basic

• from_dict
• from_parameters

constructors

• cubic
• hexagonal
• monoclinic
• orthorhombic
• rhombohedral
• tetragonal

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Lattice Exporting

• as_dict
• copy
• to_json

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Basic Properties

vectors

• a
• b
• c
• abc
• lengths
• pbc

angles

• alpha
• beta
• gamma
• angles

full lattice

• matrix
• volume
• is_3d_periodic
• is_hexagonal
• is_orthogonal
• parameters
• reciprocal_lattice
• reciprocal_lattice_crystallographic

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Measurements

• d_hkl
• dot
• norm

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Transforms

• inv_matrix
• lll_inverse
• lll_mapping
• lll_matrix
• metric_tensor
• scale

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Analysis Methods

• get_all_distances
• get_brillouin_zone
• get_cartesian_coords
• get_distance_and_image
• get_frac_coords_from_lll
• get_fractional_coords
• get_lll_frac_coords
• get_lll_reduced_lattice
• get_miller_index_from_coords
• get_niggli_reduced_lattice
• get_points_in_sphere
• get_points_in_sphere_old
• get_points_in_sphere_py
• get_recp_symmetry_operation
• get_vector_along_lattice_directions
• get_wigner_seitz_cell

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Inter-lattice Utils

• find_all_mappings
• find_mapping
• selling_dist
• selling_vector

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JSON Utils

• unsafe_hash
• validate_monty_v1
• validate_monty_v2

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