This page documents an OPTIMADE Property Definition. See https://schemas.optimade.org/ for more information.
ID: https://schemas.httk.org/defs/v0.1/properties/spacegroups/asu_shape_only_str
Definition name: asu_shape_only_str
Property name: Shape-only asymmetric unit string
Description: Plain string rendering of the geometric shape part of the asymmetric-unit restrictions, without conditional refinements.
Type: string
The structured representation in asu is canonical; this string is a rendering for display and quick inspection.
This is the closure of the volume shape: all top-level boundaries are included and lower-dimensional ownership rules are discarded.
It MUST NOT be used as a substitute for asu when assigning symmetry-equivalent boundary points to an ASU.
Examples:
"x>=0; x<=1; y>=0; y<=1; z>=0; z<=1""x>=0; x<=1/2; y>=0; y<=1; z>=0; z<=1"JSON definition:
{
"$id": "https://schemas.httk.org/defs/v0.1/properties/spacegroups/asu_shape_only_str",
"$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
"title": "Shape-only asymmetric unit string",
"x-optimade-type": "string",
"x-optimade-definition": {
"kind": "property",
"version": "0.1.0",
"format": "1.3",
"name": "asu_shape_only_str",
"label": "asu_shape_only_str_spacegroups"
},
"type": [
"string",
"null"
],
"description": "Plain string rendering of the geometric shape part of the asymmetric-unit restrictions, without conditional refinements.\n\nThe structured representation in `asu` is canonical; this string is a rendering for display and quick inspection.\n\nThis is the closure of the volume shape: all top-level boundaries are included and lower-dimensional ownership rules are discarded.\nIt MUST NOT be used as a substitute for `asu` when assigning symmetry-equivalent boundary points to an ASU.",
"x-optimade-unit": "inapplicable",
"examples": [
"x>=0; x<=1; y>=0; y<=1; z>=0; z<=1",
"x>=0; x<=1/2; y>=0; y<=1; z>=0; z<=1"
]
}