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

Site magnetic moments (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/site_moments
Definition name: site_moments

Property name: Site magnetic moments
Description: The magnetic moment vector of each site, in Cartesian coordinates and Bohr magnetons.
Type: list

Requirements/Conventions:

Examples:

Formats: [JSON] [MD]

JSON definition:

{
    "$id": "https://schemas.httk.org/defs/v0.1/properties/magnetism/site_moments",
    "$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
    "title": "Site magnetic moments",
    "x-optimade-type": "list",
    "x-optimade-definition": {
        "kind": "property",
        "version": "0.2.0",
        "format": "1.3",
        "name": "site_moments",
        "label": "site_moments_magnetism"
    },
    "x-optimade-unit": "inapplicable",
    "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"
            }
        }
    ],
    "type": [
        "array",
        "null"
    ],
    "description": "The magnetic moment vector of each site, in Cartesian coordinates and Bohr magnetons.\n\n**Requirements/Conventions**:\n\n- The outer list MUST have the same length and order as the sites of the structure,\n  i.e., one inner list per member of `cartesian_site_positions`.\n- Each inner list is the magnetic moment vector of the corresponding site, given as\n  three Cartesian components in Bohr magnetons.\n- The Cartesian frame MUST be the same frame in which `lattice_vectors` and\n  `cartesian_site_positions` are expressed.\n- A site with no ordered magnetic moment MUST be given as the zero vector.\n- The value MUST be `null` where moments are unknown, and where only collinear moment\n  magnitudes without a global axis are recorded, since no Cartesian direction can then\n  be stated.",
    "items": {
        "x-optimade-type": "list",
        "x-optimade-unit": "inapplicable",
        "type": [
            "array"
        ],
        "x-optimade-dimensions": {
            "names": [
                "dim_spatial"
            ],
            "sizes": [
                3
            ]
        },
        "items": {
            "x-optimade-type": "float",
            "x-optimade-unit": "bohrmagneton",
            "type": [
                "number"
            ]
        }
    },
    "examples": [
        [
            [
                0.0,
                0.0,
                2.0
            ],
            [
                0.0,
                0.0,
                -2.0
            ]
        ],
        [
            [
                1.2,
                0.0,
                0.0
            ],
            [
                -1.2,
                0.0,
                0.0
            ],
            [
                0.0,
                0.0,
                0.0
            ]
        ]
    ]
}