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

Bravais type (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/bravais_type
Definition name: bravais_type

Property name: Bravais type
Description: The Bravais type of the translational lattice.
Type: string

The symbol consists of a lower-case crystal-system letter followed by an upper-case centring symbol. Side-centred settings (A, B, or C centring) are normalized to the setting-independent S symbol for monoclinic and orthorhombic lattices. Body-centred monoclinic settings keep the symbol mI, which describes the same lattice type as mS in a different conventional cell choice.

Examples:

Formats: [JSON] [MD]

JSON definition:

{
    "$id": "https://schemas.anyterial.se/defs/v0.1/properties/spacegroups/bravais_type",
    "$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
    "title": "Bravais type",
    "x-optimade-type": "string",
    "x-compatibility": [
        "https://www.iucr.org/__data/iucr/cifdic_html/2/cif_sym.dic/Ispace_group.Bravais_type.html"
    ],
    "x-optimade-definition": {
        "kind": "property",
        "version": "0.1.0",
        "format": "1.3",
        "name": "bravais_type",
        "label": "bravais_type_spacegroups"
    },
    "type": [
        "string",
        "null"
    ],
    "description": "The Bravais type of the translational lattice.\n\nThe symbol consists of a lower-case crystal-system letter followed by an upper-case centring symbol.\nSide-centred settings (`A`, `B`, or `C` centring) are normalized to the setting-independent `S` symbol for monoclinic and orthorhombic lattices.\nBody-centred monoclinic settings keep the symbol `mI`, which describes the same lattice type as `mS` in a different conventional cell choice.",
    "x-optimade-unit": "inapplicable",
    "enum": [
        "aP",
        "mP",
        "mS",
        "mI",
        "oP",
        "oS",
        "oF",
        "oI",
        "tP",
        "tI",
        "hP",
        "hR",
        "cP",
        "cI",
        "cF"
    ],
    "examples": [
        "aP",
        "mS"
    ]
}