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:
cartesian_site_positions.lattice_vectors and
cartesian_site_positions are expressed.null where moments are unknown, and where only collinear moment
magnitudes without a global axis are recorded, since no Cartesian direction can then
be stated.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]]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
]
]
]
}