This page documents an OPTIMADE Property Definition. See https://schemas.optimade.org/ for more information.
ID: https://schemas.anyterial.se/defs/v0.1/properties/spacegroups/wyckoff_sets
Definition name: wyckoff_sets
Property name: Wyckoff sets
Description: Sets of Wyckoff letters related by normalizer operations.
Type: list
Each inner list groups Wyckoff positions that can be interchanged by the relevant normalizer action.
Examples:
[["a"]][["i"], ["h"], ["g"]]JSON definition:
{
"$id": "https://schemas.anyterial.se/defs/v0.1/properties/spacegroups/wyckoff_sets",
"$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
"title": "Wyckoff sets",
"x-optimade-type": "list",
"x-optimade-definition": {
"kind": "property",
"version": "0.1.0",
"format": "1.3",
"name": "wyckoff_sets",
"label": "wyckoff_sets_spacegroups"
},
"type": [
"array",
"null"
],
"description": "Sets of Wyckoff letters related by normalizer operations.\n\nEach inner list groups Wyckoff positions that can be interchanged by the relevant normalizer action.",
"x-optimade-unit": "inapplicable",
"items": {
"x-optimade-type": "list",
"type": [
"array",
"null"
],
"description": "One Wyckoff-set combination.",
"items": {
"x-optimade-type": "string",
"type": [
"string",
"null"
],
"description": "Wyckoff letter.",
"x-optimade-unit": "inapplicable"
},
"x-optimade-unit": "inapplicable"
},
"examples": [
[
[
"a"
]
],
[
[
"i"
],
[
"h"
],
[
"g"
]
]
]
}