httk
httk property definitionsProperty definitions using the OPTIMADE property definition format, hosted by httk
Note: prerelease version v0.1, subject to change

Total magnetic moment (property)

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

ID: https://schemas.httk.org/defs/v0.1/properties/magnetism/total_magnetic_moment
Definition name: total_magnetic_moment

Property name: Total magnetic moment
Description: The total magnetic moment of the cell, in Bohr magnetons, as a vector over dim_spatial: the vector sum of the site moments in the Cartesian frame of the structure (the frame of lattice_vectors and cartesian_site_positions). Only the sum of the site moments is recorded; contributions outside the sites (interstitial regions) are not included unless the producing analysis states so. A null value means the quantity is not available or not recorded.
Type: list
Implementation requirements:
- Support: OPTIONAL support in implementations, i.e., MAY be null.

Examples:

Formats: [JSON] [MD]

JSON definition:

{
    "$id": "https://schemas.httk.org/defs/v0.1/properties/magnetism/total_magnetic_moment",
    "$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
    "title": "Total magnetic moment",
    "x-optimade-type": "list",
    "x-optimade-definition": {
        "kind": "property",
        "version": "0.1.0",
        "format": "1.3",
        "name": "total_magnetic_moment",
        "label": "total_magnetic_moment_magnetism_httk"
    },
    "x-optimade-unit": "bohrmagneton",
    "x-optimade-unit-definitions": [
        {
            "$id": "https://schemas.optimade.org/defs/v1.2/constants/codata/2018/electromagnetic/bohrmagneton",
            "title": "Bohr magneton",
            "symbol": "bohrmagneton",
            "display-symbol": "\\(\\mu_B\\)",
            "description": "The 2018 CODATA Bohr magneton constant is defined as \"1 \\(\\mu_B\\) = 9.274 010 0783(28)\u00b710\u207b\u00b2\u2074 J\u00b7T\u207b\u00b9\" with joule and tesla conforming to the 2019 redefinition of the SI derived units.",
            "resources": [
                {
                    "relation": "2018 CODATA value Bohr magneton: source for relationship to SI units",
                    "resource-id": "https://physics.nist.gov/cgi-bin/cuu/Value?mub"
                },
                {
                    "relation": "Wikipedia article describing the unit",
                    "resource-id": "https://en.wikipedia.org/wiki/Bohr_magneton"
                }
            ],
            "defining-relation": {
                "base-units": [
                    {
                        "symbol": "J",
                        "id": "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/joule"
                    },
                    {
                        "symbol": "T",
                        "id": "https://schemas.optimade.org/defs/v1.2/units/si/2019/named/tesla"
                    }
                ],
                "base-units-expression": "J*T^-1",
                "scale": {
                    "numerator": 92740100783,
                    "exponent": -34,
                    "standard_uncertainty": 2.8e-34
                }
            },
            "standard": {
                "name": "codata",
                "year": 2018,
                "category": "electromagnetic",
                "symbol": "\\(\\mu_B\\)"
            },
            "x-optimade-definition": {
                "label": "bohrmagneton_constant_codata_2018_electromagnetic",
                "kind": "constant",
                "format": "1.2",
                "version": "1.2.0",
                "name": "bohrmagneton"
            }
        }
    ],
    "x-optimade-requirements": {
        "support": "may",
        "sortable": false,
        "query-support": "all mandatory"
    },
    "x-optimade-dimensions": {
        "names": [
            "dim_spatial"
        ],
        "sizes": [
            3
        ]
    },
    "type": [
        "array",
        "null"
    ],
    "description": "The total magnetic moment of the cell, in Bohr magnetons, as a vector over `dim_spatial`: the vector sum of the site moments in the Cartesian frame of the structure (the frame of `lattice_vectors` and `cartesian_site_positions`).\nOnly the sum of the site moments is recorded; contributions outside the sites (interstitial regions) are not included unless the producing analysis states so.\nA null value means the quantity is not available or not recorded.",
    "items": {
        "x-optimade-type": "float",
        "x-optimade-unit": "bohrmagneton",
        "type": [
            "number"
        ]
    }
}