Anyterial
Note: prerelease version v0.1, subject to change

Centering translations (property)

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/centering_translations
Definition name: centering_translations

Property name: Centering translations
Description: Centering translations of the conventional cell.
Type: list

Each list member is one exact fractional-coordinate centering translation as defined by /properties/symmetry/centering_translation. The zero translation (0,0,0) is listed first.

Examples:

Formats: [JSON] [MD]

JSON definition:

{
    "$id": "https://schemas.anyterial.se/defs/v0.1/properties/spacegroups/centering_translations",
    "$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
    "title": "Centering translations",
    "x-optimade-type": "list",
    "x-optimade-definition": {
        "kind": "property",
        "version": "0.1.0",
        "format": "1.3",
        "name": "centering_translations",
        "label": "centering_translations_spacegroups"
    },
    "x-optimade-unit": "inapplicable",
    "type": [
        "array",
        "null"
    ],
    "description": "Centering translations of the conventional cell.\n\nEach list member is one exact fractional-coordinate centering translation as defined by `/properties/symmetry/centering_translation`.\nThe zero translation `(0,0,0)` is listed first.",
    "items": {
        "$id": "https://schemas.anyterial.se/defs/v0.1/properties/symmetry/centering_translation",
        "title": "Centering translation",
        "x-optimade-type": "list",
        "x-optimade-definition": {
            "kind": "property",
            "version": "0.1.0",
            "format": "1.3",
            "name": "centering_translation",
            "label": "centering_translation_symmetry"
        },
        "x-optimade-unit": "inapplicable",
        "type": [
            "array",
            "null"
        ],
        "description": "One centering translation of a conventional crystallographic cell.\n\nThe translation is represented in fractional coordinates using exact fraction strings.\n\n**Requirements/Conventions**:\n\n- It MUST be a list of three exact fractional-coordinate components.\n- The zero translation is included in centering-translation lists and is normally listed first.",
        "x-optimade-dimensions": {
            "names": [
                "dim_lattice"
            ],
            "sizes": [
                3
            ]
        },
        "items": {
            "$id": "https://schemas.anyterial.se/defs/v0.1/properties/core/fraction",
            "title": "Fraction",
            "x-optimade-type": "string",
            "x-optimade-definition": {
                "label": "fraction_core",
                "kind": "property",
                "version": "0.1.0",
                "format": "1.3",
                "name": "fraction"
            },
            "type": [
                "string",
                "null"
            ],
            "description": "A numerical representation formed as the quotient of two numbers represented as a string.",
            "examples": [
                "2/3",
                "5/42",
                "10",
                "0"
            ],
            "x-optimade-unit": "inapplicable"
        },
        "examples": [
            [
                "0",
                "0",
                "0"
            ],
            [
                "1/2",
                "1/2",
                "0"
            ]
        ]
    },
    "examples": [
        [
            [
                "0",
                "0",
                "0"
            ]
        ],
        [
            [
                "0",
                "0",
                "0"
            ],
            [
                "1/2",
                "1/2",
                "0"
            ]
        ]
    ]
}