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:
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"
]
}
}