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/common/symmetry_operation_xyz
Definition name: symmetry_operation_xyz
Property name: symmetry operation
Description: A symmetry operation given as general position x, y, z coordinates in algebraic form.
Type: string
Requirements/Conventions:
x
, y
and z
that are typesetted with overbars in printed text represent coordinate values multiplied by -1 and are encoded as -x
, -y
and -z
, respectively.The Symmetry Operation String Regular Expressions
_.Examples:
JSON definition:
{
"$id": "https://schemas.optimade.org/defs/v1.2/properties/optimade/common/symmetry_operation_xyz",
"$schema": "https://schemas.optimade.org/meta/v1.2/optimade/property_definition.json",
"title": "symmetry operation",
"x-optimade-type": "string",
"x-optimade-definition": {
"label": "symmetry_operation_xyz_optimade_common",
"kind": "property",
"version": "1.2.0",
"format": "1.2",
"name": "symmetry_operation_xyz"
},
"description": "A symmetry operation given as general position x, y, z coordinates in algebraic form.\n\n**Requirements/Conventions:**\n\n- The symmetry operation is described by a string that gives that symmetry operation in Jones' faithful representation (Bradley & Cracknell, 1972: pp. 35-37), adapted for computer string notation.\n- The letters `x`, `y` and `z` that are typesetted with overbars in printed text represent coordinate values multiplied by -1 and are encoded as `-x`, `-y` and `-z`, respectively.\n- The syntax of the strings representing symmetry operations MUST conform to regular expressions given in appendix `The Symmetry Operation String Regular Expressions`_.",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"maxLength": 3
}