This page documents an OPTIMADE Property Definition. See https://schemas.optimade.org/ for more information.
ID: https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/space_group_symbol_hermann_mauguin_extended
Definition name: space_group_symbol_hermann_mauguin_extended
Property name: extended Hermann-Mauguin space group symbol
Description: A human- and machine-readable string containing the extended Hermann-Mauguin (H-M) symbol which specifies the space group of the structure in the response.
Type: string
Requirements/Conventions:
space_group_symbol_hermann_mauguin
property.Bibliographic References
Examples:
"C 1 2 1"
JSON definition:
{
"$id": "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/space_group_symbol_hermann_mauguin_extended",
"$schema": "https://schemas.optimade.org/meta/v1.2/optimade/property_definition.json",
"title": "extended Hermann-Mauguin space group symbol",
"x-optimade-type": "string",
"x-optimade-definition": {
"label": "space_group_symbol_hermann_mauguin_extended_optimade_structures",
"kind": "property",
"version": "1.2.0",
"format": "1.2",
"name": "space_group_symbol_hermann_mauguin_extended"
},
"type": [
"string",
"null"
],
"description": "A human- and machine-readable string containing the extended Hermann-Mauguin (H-M) symbol which specifies the space group of the structure in the response.\n\n**Requirements/Conventions**:\n\n- The H-M symbols SHOULD be given as specified in the International Tables for Crystallography vol. A (IUCr, 2005), Table 4.3.2.1.\n- The change-of-basis operation SHOULD be provided for the non-standard axis and cell choices.\n- The extended H-M symbol does not unambiguously communicate the origin choice, and the given symbol SHOULD NOT be amended to convey this information.\n- The description of the change-of-basis SHOULD follow conventions of the ITC Vol. B, Sect. 1.4, Appendix A1.4.2 (IUCr, 2001).\n- The same character string encoding conventions MUST be used as for the specification of the `space_group_symbol_hermann_mauguin` property.\n\n**Bibliographic References**\n\n- IUCr (2001). International Tables for Crystallography vol. B. Reciprocal Space. Ed. U. Shmueli. 2-nd edition. Dordrecht/Boston/London, Kluwer Academic Publishers.\n- IUCr (2005). International Tables for Crystallography vol. A. Space-Group Symmetry. Ed. Theo Hahn. 5-th edition. Dordrecht, Springer.",
"examples": [
"C 1 2 1"
],
"x-optimade-unit": "unapplicable"
}