list of elements ratios (property)

This page documents an OPTIMADE Property Definition. See https://schemas.optimade.org/ for more information.

ID: https://schemas.optimade.org/defs/v1.3/properties/optimade/trajectories/elements_ratios
Definition name: elements_ratios

Property name: list of elements ratios
Description: A list of element_ratios items. An element_ratios item is the relative proportions of different elements in the structure.
Type: list

For each element_ratios item the following applies:

Requirements/Conventions:

Query examples:

Examples:

Formats: [JSON] [MD]

JSON definition:

{
    "$id": "https://schemas.optimade.org/defs/v1.3/properties/optimade/trajectories/elements_ratios",
    "$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
    "title": "list of elements ratios",
    "x-optimade-type": "list",
    "x-optimade-definition": {
        "label": "elements_ratios_optimade_trajectories",
        "kind": "property",
        "version": "1.3.0",
        "format": "1.3",
        "name": "elements_ratios"
    },
    "x-optimade-dimensions": {
        "names": [
            "dim_elements",
            "dim_elements"
        ],
        "sizes": [
            null,
            null
        ],
        "compactable": [
            "constant",
            "no"
        ]
    },
    "type": [
        "array",
        "null"
    ],
    "description": "A list of element_ratios items.\nAn element_ratios item is the relative proportions of different elements in the structure.\n\nFor each element_ratios item the following applies:\n\n**Requirements/Conventions**:\n\n- Composed by the proportions of elements in the structure as a list of floating point numbers.\n- The sum of the numbers MUST be 1.0 (within floating point accuracy)\n- MUST refer to the same elements in the same order, and therefore be of the same length, as `elements`, if the latter is provided.\n\n**Query examples**:\n\n- Note: Useful filters can be formulated using the set operator syntax for correlated values.\n  However, since the values are floating point values, the use of equality comparisons is generally inadvisable.\n- OPTIONAL: a filter that matches structures where approximately 1/3 of the atoms in the structure are the element Al is: `elements:elements_ratios HAS ALL \"Al\":>0.3333, \"Al\":<0.3334`.",
    "examples": [
        [
            1.0
        ],
        [
            0.3333333333333333,
            0.2222222222222222,
            0.4444444444444444
        ]
    ],
    "x-optimade-unit": "inapplicable",
    "items": {
        "$id": "https://schemas.optimade.org/defs/v1.2/properties/optimade/structures/elements_ratios",
        "title": "elements ratios",
        "x-optimade-type": "list",
        "x-optimade-definition": {
            "label": "elements_ratios_optimade_structures",
            "kind": "property",
            "version": "1.2.1",
            "format": "1.2",
            "name": "elements_ratios"
        },
        "x-optimade-dimensions": {
            "names": [
                "dim_elements"
            ],
            "sizes": [
                null
            ]
        },
        "type": [
            "array",
            "null"
        ],
        "description": "Relative proportions of different elements in the structure.\n\n**Requirements/Conventions**:\n\n- Composed by the proportions of elements in the structure as a list of floating point numbers.\n- The sum of the numbers MUST be 1.0 (within floating point accuracy)\n- MUST refer to the same elements in the same order, and therefore be of the same length, as `elements`, if the latter is provided.\n\n**Query examples**:\n\n- Note: Useful filters can be formulated using the set operator syntax for correlated values.\n  However, since the values are floating point values, the use of equality comparisons is generally inadvisable.\n- OPTIONAL: a filter that matches structures where approximately 1/3 of the atoms in the structure are the element Al is: `elements:elements_ratios HAS ALL \"Al\":>0.3333, \"Al\":<0.3334`.",
        "examples": [
            [
                1.0
            ],
            [
                0.3333333333333333,
                0.2222222222222222,
                0.4444444444444444
            ]
        ],
        "x-optimade-unit": "inapplicable",
        "items": {
            "x-optimade-type": "float",
            "type": [
                "number"
            ],
            "x-optimade-unit": "dimensionless",
            "minimum": 0.0,
            "maximum": 1.0
        }
    }
}