Index A | B | C | D | E | F | G | I | L | M | O | P | R | S | T | U | V | Z A all_symbols() (cifkit.data.element.Element class method) are_available() (in module cifkit.sources.radius) atom_site_info (cifkit.models.cif.Cif attribute) ATOMIC_NUMBER (cifkit.sources.oliynyk.Property attribute) AW (cifkit.sources.oliynyk.Property attribute) B bond_pairs (cifkit.models.cif.Cif attribute) bond_pairs_sorted_by_mendeleev (cifkit.models.cif.Cif attribute) build_formula_from_parsed() (cifkit.parsers.formula.Formula static method) BULK_MODULUS (cifkit.sources.oliynyk.Property attribute) C Cif (class in cifkit.models.cif) CIF_RADIUS (cifkit.sources.oliynyk.Property attribute) CifEnsemble (class in cifkit.models.cif_ensemble) cifkit.coordination.bond_distance module cifkit.coordination.composition module cifkit.coordination.connection module cifkit.coordination.filter module cifkit.coordination.geometry module cifkit.coordination.method module cifkit.coordination.site module cifkit.coordination.site_distance module cifkit.numbers module cifkit.sources.mendeleev module cifkit.sources.ptable module cifkit.sources.radius module cifs (cifkit.models.cif_ensemble.CifEnsemble attribute) CN_avg_by_best_methods (cifkit.models.cif.Cif property) CN_avg_by_min_dist_method (cifkit.models.cif.Cif property) CN_best_methods (cifkit.models.cif.Cif property) CN_bond_count_by_best_methods (cifkit.models.cif.Cif property) CN_bond_count_by_best_methods_sorted_by_mendeleev (cifkit.models.cif.Cif property) CN_bond_count_by_min_dist_method (cifkit.models.cif.Cif property) CN_bond_count_by_min_dist_method_sorted_by_mendeleev (cifkit.models.cif.Cif property) CN_bond_fractions_by_best_methods (cifkit.models.cif.Cif property) CN_bond_fractions_by_best_methods_sorted_by_mendeleev (cifkit.models.cif.Cif property) CN_bond_fractions_by_min_dist_method (cifkit.models.cif.Cif property) CN_bond_fractions_by_min_dist_method_sorted_by_mendeleev (cifkit.models.cif.Cif property) CN_connections_by_best_methods (cifkit.models.cif.Cif property) CN_connections_by_min_dist_method (cifkit.models.cif.Cif property) CN_max_by_best_methods (cifkit.models.cif.Cif property) CN_max_by_min_dist_method (cifkit.models.cif.Cif property) CN_max_gap_per_site (cifkit.models.cif.Cif property) CN_min_by_best_methods (cifkit.models.cif.Cif property) CN_min_by_min_dist_method (cifkit.models.cif.Cif property) CN_unique_values_by_best_methods (cifkit.models.cif.Cif property) (cifkit.models.cif_ensemble.CifEnsemble property) CN_unique_values_by_min_dist_method (cifkit.models.cif.Cif property) (cifkit.models.cif_ensemble.CifEnsemble property) COHESIVE_ENERGY (cifkit.sources.oliynyk.Property attribute) composition_type (cifkit.models.cif.Cif attribute) composition_type_stats (cifkit.models.cif_ensemble.CifEnsemble property) compute_avg_CN() (in module cifkit.coordination.composition) compute_CN() (cifkit.models.cif.Cif method) compute_connections() (cifkit.models.cif.Cif method) compute_polyhedron_metrics() (in module cifkit.coordination.geometry) connections (cifkit.models.cif.Cif attribute) connections_flattened (cifkit.models.cif.Cif property) COORD_NUM (cifkit.sources.oliynyk.Property attribute) copy_cif_files() (cifkit.models.cif_ensemble.CifEnsemble method) count() (cifkit.parsers.formula.Formula static method) count_by_composition() (cifkit.parsers.formula.Formula static method) count_by_formula() (cifkit.parsers.formula.Formula static method) count_connections_per_site() (in module cifkit.coordination.composition) count_duplicates() (cifkit.parsers.formula.Formula static method) count_individual() (cifkit.parsers.formula.Formula static method) count_unique() (cifkit.parsers.formula.Formula static method) D data() (in module cifkit.sources.radius) db (cifkit.sources.oliynyk.Oliynyk attribute) db_source (cifkit.models.cif.Cif attribute) DENSITY (cifkit.sources.oliynyk.Property attribute) dir_path (cifkit.models.cif_ensemble.CifEnsemble attribute) display() (cifkit.sources.oliynyk.Property class method) E Element (class in cifkit.data.element) element_count (cifkit.parsers.formula.Formula property) elements (cifkit.parsers.formula.Formula property) (cifkit.sources.oliynyk.Oliynyk attribute) ElementSorter (class in cifkit.sorters.element_sorter) F file_count (cifkit.models.cif_ensemble.CifEnsemble attribute) file_name (cifkit.models.cif.Cif attribute) file_name_without_ext (cifkit.models.cif.Cif attribute) file_path (cifkit.models.cif.Cif attribute) file_paths (cifkit.models.cif_ensemble.CifEnsemble attribute) filter_by_CN_best_methods_containing() (cifkit.models.cif_ensemble.CifEnsemble method) filter_by_CN_best_methods_exact_matching() (cifkit.models.cif_ensemble.CifEnsemble method) filter_by_CN_min_dist_method_containing() (cifkit.models.cif_ensemble.CifEnsemble method) filter_by_CN_min_dist_method_exact_matching() (cifkit.models.cif_ensemble.CifEnsemble method) filter_by_composition() (cifkit.parsers.formula.Formula static method) filter_by_composition_types() (cifkit.models.cif_ensemble.CifEnsemble method) filter_by_elements_containing() (cifkit.models.cif_ensemble.CifEnsemble method) (cifkit.parsers.formula.Formula static method) filter_by_elements_exact_matching() (cifkit.models.cif_ensemble.CifEnsemble method) filter_by_elements_matching() (cifkit.parsers.formula.Formula static method) filter_by_formulas() (cifkit.models.cif_ensemble.CifEnsemble method) filter_by_min_distance() (cifkit.models.cif_ensemble.CifEnsemble method) filter_by_single_composition() (cifkit.parsers.formula.Formula static method) filter_by_site_mixing_types() (cifkit.models.cif_ensemble.CifEnsemble method) filter_by_space_group_names() (cifkit.models.cif_ensemble.CifEnsemble method) filter_by_space_group_numbers() (cifkit.models.cif_ensemble.CifEnsemble method) filter_by_structures() (cifkit.models.cif_ensemble.CifEnsemble method) filter_by_supercell_count() (cifkit.models.cif_ensemble.CifEnsemble method) filter_by_tags() (cifkit.models.cif_ensemble.CifEnsemble method) find_best_polyhedron() (in module cifkit.coordination.filter) Formula (class in cifkit.parsers.formula) formula_stats (cifkit.models.cif_ensemble.CifEnsemble property) full_name (cifkit.data.element.Element property) G generate_CN_by_best_methods_histogram() (cifkit.models.cif_ensemble.CifEnsemble method) generate_CN_by_min_dist_method_histogram() (cifkit.models.cif_ensemble.CifEnsemble method) generate_composition_type_histogram() (cifkit.models.cif_ensemble.CifEnsemble method) generate_elements_histogram() (cifkit.models.cif_ensemble.CifEnsemble method) generate_formula_histogram() (cifkit.models.cif_ensemble.CifEnsemble method) generate_site_mixing_type_histogram() (cifkit.models.cif_ensemble.CifEnsemble method) generate_space_group_name_histogram() (cifkit.models.cif_ensemble.CifEnsemble method) generate_space_group_number_histogram() (cifkit.models.cif_ensemble.CifEnsemble method) generate_structure_histogram() (cifkit.models.cif_ensemble.CifEnsemble method) generate_supercell_size_histogram() (cifkit.models.cif_ensemble.CifEnsemble method) generate_tag_histogram() (cifkit.models.cif_ensemble.CifEnsemble method) get_bond_counts() (in module cifkit.coordination.composition) get_bond_fractions() (in module cifkit.coordination.composition) get_CN_connections_by_best_methods() (in module cifkit.coordination.connection) get_data() (in module cifkit.sources.ptable) get_element_count() (cifkit.parsers.formula.Formula static method) get_min_distance_pair() (in module cifkit.coordination.site) get_min_distance_pair_per_site_label() (in module cifkit.coordination.site) get_normalized_formula() (cifkit.parsers.formula.Formula method) get_normalized_indices() (cifkit.parsers.formula.Formula method) get_normalized_parsed_formula() (cifkit.parsers.formula.Formula method) get_oliynyk_CAF_data() (cifkit.sources.oliynyk.Oliynyk method) get_polyhedron_coordinates_labels() (in module cifkit.coordination.geometry) get_polyhedron_labels_by_CN_best_methods() (cifkit.models.cif.Cif method) get_polyhedron_labels_by_CN_min_dist_method() (cifkit.models.cif.Cif method) get_property_data() (cifkit.sources.oliynyk.Oliynyk method) get_property_data_for_formula() (cifkit.sources.oliynyk.Oliynyk method) get_rad_sum_value() (in module cifkit.coordination.method) get_shortest_distance() (in module cifkit.coordination.site_distance) get_shortest_distance_per_bond_pair() (in module cifkit.coordination.bond_distance) get_shortest_distance_per_site() (in module cifkit.coordination.site_distance) get_supported_formulas() (cifkit.sources.oliynyk.Oliynyk method) get_unique_CN_values() (in module cifkit.coordination.composition) get_unique_elements() (cifkit.parsers.formula.Formula static method) get_unique_formulas() (cifkit.parsers.formula.Formula static method) GILMAN (cifkit.sources.oliynyk.Property attribute) GROUP (cifkit.sources.oliynyk.Property attribute) I indices (cifkit.parsers.formula.Formula property) ION_ENERGY (cifkit.sources.oliynyk.Property attribute) is_available() (in module cifkit.sources.radius) is_formula_supported() (cifkit.sources.oliynyk.Oliynyk method) is_radius_data_available (cifkit.models.cif.Cif attribute) L list_supported_elements() (cifkit.sources.oliynyk.Oliynyk method) logging_enabled (cifkit.models.cif.Cif attribute) (cifkit.models.cif_ensemble.CifEnsemble attribute) M MARTYNOV_BATSANOV_EN (cifkit.sources.oliynyk.Property attribute) max_min_avg_index (cifkit.parsers.formula.Formula property) MELTING_POINT_K (cifkit.sources.oliynyk.Property attribute) MEND_NUM (cifkit.sources.oliynyk.Property attribute) minimum_distances (cifkit.models.cif_ensemble.CifEnsemble property) mixing_info_per_label_pair (cifkit.models.cif.Cif attribute) mixing_info_per_label_pair_sorted_by_mendeleev (cifkit.models.cif.Cif attribute) module cifkit.coordination.bond_distance cifkit.coordination.composition cifkit.coordination.connection cifkit.coordination.filter cifkit.coordination.geometry cifkit.coordination.method cifkit.coordination.site cifkit.coordination.site_distance cifkit.numbers cifkit.sources.mendeleev cifkit.sources.ptable cifkit.sources.radius move_cif_files() (cifkit.models.cif_ensemble.CifEnsemble method) O Oliynyk (class in cifkit.sources.oliynyk) order_by_alphabetical() (cifkit.parsers.formula.Formula static method) P PAULING_EN (cifkit.sources.oliynyk.Property attribute) PAULING_RADIUS_CN12 (cifkit.sources.oliynyk.Property attribute) PERIOD (cifkit.sources.oliynyk.Property attribute) plot_polyhedron() (cifkit.models.cif.Cif method) POLYHEDRON_DISTORT (cifkit.sources.oliynyk.Property attribute) Property (class in cifkit.sources.oliynyk) R radius_sum (cifkit.models.cif.Cif property) radius_values (cifkit.models.cif.Cif property) RATIO_CLOSEST (cifkit.sources.oliynyk.Property attribute) S select() (cifkit.sources.oliynyk.Property class method) shortest_bond_pair_distance (cifkit.models.cif.Cif property) shortest_distance (cifkit.models.cif.Cif property) shortest_site_pair_distance (cifkit.models.cif.Cif property) site_label_pairs (cifkit.models.cif.Cif attribute) site_label_pairs_sorted_by_mendeleev (cifkit.models.cif.Cif attribute) site_labels (cifkit.models.cif.Cif attribute) site_mixing_type (cifkit.models.cif.Cif attribute) site_mixing_type_stats (cifkit.models.cif_ensemble.CifEnsemble property) sort() (cifkit.sorters.element_sorter.ElementSorter method) sort_by_custom_label() (cifkit.parsers.formula.Formula method) sort_by_elemental_property() (cifkit.parsers.formula.Formula method) sort_by_stoichiometry() (cifkit.parsers.formula.Formula method) space_group_name_stats (cifkit.models.cif_ensemble.CifEnsemble property) space_group_number_stats (cifkit.models.cif_ensemble.CifEnsemble property) SPECIFIC_HEAT (cifkit.sources.oliynyk.Property attribute) structure_stats (cifkit.models.cif_ensemble.CifEnsemble property) supercell_atom_count (cifkit.models.cif.Cif attribute) supercell_atom_counts (cifkit.models.cif_ensemble.CifEnsemble property) supercell_points (cifkit.models.cif.Cif attribute) supercell_size_stats (cifkit.models.cif_ensemble.CifEnsemble property) supported_elements() (in module cifkit.sources.radius) symbol (cifkit.data.element.Element property) T tag (cifkit.models.cif.Cif attribute) tag_stats (cifkit.models.cif_ensemble.CifEnsemble property) to_csv() (cifkit.sources.oliynyk.Oliynyk method) to_dataframe() (cifkit.sources.oliynyk.Oliynyk method) U unique_CN_values_by_method_methods_stat (cifkit.models.cif_ensemble.CifEnsemble property) unique_CN_values_by_min_dist_method_stat (cifkit.models.cif_ensemble.CifEnsemble property) unique_composition_types (cifkit.models.cif_ensemble.CifEnsemble property) unique_elements (cifkit.models.cif.Cif attribute) (cifkit.models.cif_ensemble.CifEnsemble property) unique_elements_stats (cifkit.models.cif_ensemble.CifEnsemble property) unique_formulas (cifkit.models.cif_ensemble.CifEnsemble property) unique_site_mixing_types (cifkit.models.cif_ensemble.CifEnsemble property) unique_space_group_names (cifkit.models.cif_ensemble.CifEnsemble property) unique_space_group_numbers (cifkit.models.cif_ensemble.CifEnsemble property) unique_structures (cifkit.models.cif_ensemble.CifEnsemble property) unique_tags (cifkit.models.cif_ensemble.CifEnsemble property) unitcell_angles (cifkit.models.cif.Cif attribute) unitcell_atom_count (cifkit.models.cif.Cif attribute) unitcell_lengths (cifkit.models.cif.Cif attribute) unitcell_points (cifkit.models.cif.Cif attribute) UNPARIED_E (cifkit.sources.oliynyk.Property attribute) V VAL_TOTAL (cifkit.sources.oliynyk.Property attribute) value() (in module cifkit.sources.radius) values_from_atomic_number() (in module cifkit.sources.ptable) values_from_name() (in module cifkit.sources.ptable) values_from_symbol() (in module cifkit.sources.ptable) Z Z_EFF (cifkit.sources.oliynyk.Property attribute)