Symmetry operation (property)

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:

Examples:

Formats: [JSON] [MD]

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
}