Anonymous chemical formula (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/structures/chemical_formula_anonymous
Definition name: chemical_formula_anonymous

Property name: Anonymous chemical formula
Description: The anonymous formula is the chemical_formula_reduced, but where the elements are instead first ordered by their chemical proportion number, and then, in order left to right, replaced by anonymous symbols A, B, C, ..., Z, Aa, Ba, ..., Za, Ab, Bb, ... and so on.
Type: string

Examples:

Formats: [JSON] [MD]

JSON definition:

{
    "$id": "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/chemical_formula_anonymous",
    "$schema": "https://schemas.optimade.org/meta/v1.2/optimade/property_definition.json",
    "title": "Anonymous chemical formula",
    "x-optimade-type": "string",
    "x-optimade-definition": {
        "label": "chemical_formula_anonymous_optimade_structures",
        "kind": "property",
        "version": "1.2.0",
        "format": "1.2",
        "name": "chemical_formula_anonymous"
    },
    "type": [
        "string",
        "null"
    ],
    "description": "The anonymous formula is the chemical_formula_reduced, but where the elements are instead first ordered by their chemical proportion number, and then, in order left to right, replaced by anonymous symbols A, B, C, ..., Z, Aa, Ba, ..., Za, Ab, Bb, ... and so on.",
    "examples": [
        "A2B",
        "A42B42C16D12E10F9G5"
    ],
    "x-optimade-unit": "inapplicable"
}