This page documents an OPTIMADE Property Definition. See https://schemas.optimade.org/ for more information.
ID: https://schemas.anyterial.se/defs/v0.1/properties/altermagnets/magndata_variants
Definition name: magndata_variants
Property name: MAGNDATA symmetry variants
Description: The ordered list of symmetry variants resolved for the material from its linked MAGNDATA records, one item per record and symmetry-detection tolerance.
Type: list
Implementation requirements:
- Support: OPTIONAL support in implementations, i.e., MAY be null.
Label-valued members are served in two channels: the unsuffixed member holds plain-text display strings and the corresponding _latex member holds the LaTeX source forms of the same labels.
The two channels are deduplicated independently, so they are not index-aligned.
List-valued members are null when no value is recorded; an empty list of variants means the material's linked MAGNDATA identifiers resolved to no symmetry records.
Requirements/Conventions:
Each item MUST be a dictionary with the following keys:
magndata_id: REQUIRED; String. The MAGNDATA identifier of the linked magnetic-structure record the variant was derived from.
source: REQUIRED; String.
Which symmetry source table the variant comes from: collinear for the collinear table and noncollinear-derived for the table derived from noncollinear sources.
formula: OPTIONAL; String. The chemical formula recorded for the variant.
symprec: OPTIONAL; Float. The symmetry-detection tolerance the variant was resolved at.
phases: OPTIONAL; List of Strings.
The deduplicated short magnetic-phase labels, using the same vocabulary as the magnetic_phases property.
wave_classes: OPTIONAL; List of Strings.
The deduplicated spin-momentum wave-class labels, using the same vocabulary as the wave_classes property.
bns, bns_latex: OPTIONAL; List of Strings. The BNS magnetic-space-group labels in the display and LaTeX channels.
bns_mcif, bns_mcif_latex: OPTIONAL; List of Strings. The BNS labels as stated in the source mcif files, in the display and LaTeX channels.
effective_bns, effective_bns_latex: OPTIONAL; List of Strings. The effective BNS magnetic-space-group labels in the display and LaTeX channels.
parent_spacegroups, parent_spacegroups_latex: OPTIONAL; List of Strings. The parent-space-group strings in the display and LaTeX channels.
connecting_elements, connecting_elements_latex: OPTIONAL; List of Strings. The symmetry elements connecting the opposite-spin sublattices, in the display and LaTeX channels.
g_laue_classes: OPTIONAL; List of Strings. The Laue classes of the magnetic-system group G.
h_laue_classes: OPTIONAL; List of Strings. The Laue classes of the halving subgroup H.
spin_angle_mismatch: OPTIONAL; Float. The largest spin-angle mismatch recorded across the variant's source rows.
spin_length_mismatch: OPTIONAL; Float. The largest spin-length mismatch recorded across the variant's source rows.
reference_dois: OPTIONAL; List of Strings. The deduplicated reference DOIs recorded for the variant.
warnings: OPTIONAL; List of Strings. The deduplicated warning messages recorded for the variant.
notes: OPTIONAL; List of Strings. The deduplicated notes recorded for the variant.
A null value means no variant data is recorded for this material.
Examples:
[{"magndata_id": "0.1", "source": "collinear", "formula": "LaMnO3", "symprec": 1e-05, "phases": ["AM"], "wave_classes": ["d"], "bns": ["Pn\u2032ma\u2032 (62.448)"], "bns_latex": ["${\\mathrm{Pn}^{\\prime}\\mathrm{ma}^{\\prime}}$ (62.448)"], "parent_spacegroups": ["Pnma (62)"], "parent_spacegroups_latex": ["${\\mathrm{Pnma}}$ (62)"], "reference_dois": ["10.1103/PhysRevB.57.R3189"]}]JSON definition:
{
"$id": "https://schemas.anyterial.se/defs/v0.1/properties/altermagnets/magndata_variants",
"$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
"title": "MAGNDATA symmetry variants",
"x-optimade-type": "list",
"x-optimade-definition": {
"kind": "property",
"version": "0.1.0",
"format": "1.3",
"name": "magndata_variants",
"label": "magndata_variants_altermagnets"
},
"x-optimade-unit": "inapplicable",
"x-optimade-requirements": {
"support": "may",
"query-support": "none",
"response-level": "should not"
},
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "dictionary",
"x-optimade-unit": "inapplicable",
"type": [
"object"
],
"required": [
"magndata_id",
"source"
],
"properties": {
"magndata_id": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"description": "The MAGNDATA identifier of the linked magnetic-structure record the variant was derived from."
},
"source": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"enum": [
"collinear",
"noncollinear-derived"
],
"description": "Which symmetry source table the variant comes from."
},
"formula": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string",
"null"
],
"description": "The chemical formula recorded for the variant, or null when not recorded."
},
"symprec": {
"x-optimade-type": "float",
"x-optimade-unit": "dimensionless",
"type": [
"number",
"null"
],
"description": "The symmetry-detection tolerance the variant was resolved at, or null when not recorded."
},
"phases": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"description": "One short magnetic-phase label."
},
"description": "The deduplicated short magnetic-phase labels of the variant, or null when empty."
},
"wave_classes": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"description": "One spin-momentum wave-class label."
},
"description": "The deduplicated spin-momentum wave-class labels of the variant, or null when empty."
},
"bns": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"description": "One BNS magnetic-space-group display label."
},
"description": "The deduplicated plain-text BNS magnetic-space-group labels of the variant, or null when empty."
},
"bns_latex": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"description": "One BNS magnetic-space-group LaTeX label."
},
"description": "The LaTeX source forms of the labels in `bns`, deduplicated independently, or null when empty."
},
"bns_mcif": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"description": "One mcif-derived BNS display label."
},
"description": "The deduplicated plain-text BNS labels as stated in the source mcif files, or null when empty."
},
"bns_mcif_latex": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"description": "One mcif-derived BNS LaTeX label."
},
"description": "The LaTeX source forms of the labels in `bns_mcif`, deduplicated independently, or null when empty."
},
"effective_bns": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"description": "One effective BNS display label."
},
"description": "The deduplicated plain-text effective BNS magnetic-space-group labels of the variant, or null when empty."
},
"effective_bns_latex": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"description": "One effective BNS LaTeX label."
},
"description": "The LaTeX source forms of the labels in `effective_bns`, deduplicated independently, or null when empty."
},
"parent_spacegroups": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"description": "One parent-space-group display string."
},
"description": "The deduplicated plain-text parent-space-group strings of the variant, or null when empty."
},
"parent_spacegroups_latex": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"description": "One parent-space-group LaTeX string."
},
"description": "The LaTeX source forms of the strings in `parent_spacegroups`, deduplicated independently, or null when empty."
},
"connecting_elements": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"description": "One connecting-symmetry-element display string."
},
"description": "The deduplicated plain-text symmetry elements connecting the opposite-spin sublattices, or null when empty."
},
"connecting_elements_latex": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"description": "One connecting-symmetry-element LaTeX string."
},
"description": "The LaTeX source forms of the strings in `connecting_elements`, deduplicated independently, or null when empty."
},
"g_laue_classes": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"description": "One Laue-class label."
},
"description": "The deduplicated Laue classes of the magnetic-system group G of the variant, or null when empty."
},
"h_laue_classes": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"description": "One Laue-class label."
},
"description": "The deduplicated Laue classes of the halving subgroup H of the variant, or null when empty."
},
"spin_angle_mismatch": {
"x-optimade-type": "float",
"x-optimade-unit": "dimensionless",
"type": [
"number",
"null"
],
"description": "The largest spin-angle mismatch recorded across the variant's source rows, or null when not recorded."
},
"spin_length_mismatch": {
"x-optimade-type": "float",
"x-optimade-unit": "dimensionless",
"type": [
"number",
"null"
],
"description": "The largest spin-length mismatch recorded across the variant's source rows, or null when not recorded."
},
"reference_dois": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"description": "One reference DOI."
},
"description": "The deduplicated reference DOIs recorded for the variant, or null when empty."
},
"warnings": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"description": "One warning message."
},
"description": "The deduplicated warning messages recorded for the variant, or null when empty."
},
"notes": {
"x-optimade-type": "list",
"x-optimade-unit": "inapplicable",
"type": [
"array",
"null"
],
"items": {
"x-optimade-type": "string",
"x-optimade-unit": "inapplicable",
"type": [
"string"
],
"description": "One note."
},
"description": "The deduplicated notes recorded for the variant, or null when empty."
}
}
},
"description": "The ordered list of symmetry variants resolved for the material from its linked MAGNDATA records, one item per record and symmetry-detection tolerance.\n\nLabel-valued members are served in two channels: the unsuffixed member holds plain-text display strings and the corresponding `_latex` member holds the LaTeX source forms of the same labels.\nThe two channels are deduplicated independently, so they are not index-aligned.\nList-valued members are null when no value is recorded; an empty list of variants means the material's linked MAGNDATA identifiers resolved to no symmetry records.\n\n**Requirements/Conventions**:\n\n- Each item MUST be a dictionary with the following keys:\n\n - **magndata\\_id**: REQUIRED; String.\n The MAGNDATA identifier of the linked magnetic-structure record the variant was derived from.\n\n - **source**: REQUIRED; String.\n Which symmetry source table the variant comes from: `collinear` for the collinear table and `noncollinear-derived` for the table derived from noncollinear sources.\n\n - **formula**: OPTIONAL; String.\n The chemical formula recorded for the variant.\n\n - **symprec**: OPTIONAL; Float.\n The symmetry-detection tolerance the variant was resolved at.\n\n - **phases**: OPTIONAL; List of Strings.\n The deduplicated short magnetic-phase labels, using the same vocabulary as the `magnetic_phases` property.\n\n - **wave\\_classes**: OPTIONAL; List of Strings.\n The deduplicated spin-momentum wave-class labels, using the same vocabulary as the `wave_classes` property.\n\n - **bns**, **bns\\_latex**: OPTIONAL; List of Strings.\n The BNS magnetic-space-group labels in the display and LaTeX channels.\n\n - **bns\\_mcif**, **bns\\_mcif\\_latex**: OPTIONAL; List of Strings.\n The BNS labels as stated in the source mcif files, in the display and LaTeX channels.\n\n - **effective\\_bns**, **effective\\_bns\\_latex**: OPTIONAL; List of Strings.\n The effective BNS magnetic-space-group labels in the display and LaTeX channels.\n\n - **parent\\_spacegroups**, **parent\\_spacegroups\\_latex**: OPTIONAL; List of Strings.\n The parent-space-group strings in the display and LaTeX channels.\n\n - **connecting\\_elements**, **connecting\\_elements\\_latex**: OPTIONAL; List of Strings.\n The symmetry elements connecting the opposite-spin sublattices, in the display and LaTeX channels.\n\n - **g\\_laue\\_classes**: OPTIONAL; List of Strings.\n The Laue classes of the magnetic-system group G.\n\n - **h\\_laue\\_classes**: OPTIONAL; List of Strings.\n The Laue classes of the halving subgroup H.\n\n - **spin\\_angle\\_mismatch**: OPTIONAL; Float.\n The largest spin-angle mismatch recorded across the variant's source rows.\n\n - **spin\\_length\\_mismatch**: OPTIONAL; Float.\n The largest spin-length mismatch recorded across the variant's source rows.\n\n - **reference\\_dois**: OPTIONAL; List of Strings.\n The deduplicated reference DOIs recorded for the variant.\n\n - **warnings**: OPTIONAL; List of Strings.\n The deduplicated warning messages recorded for the variant.\n\n - **notes**: OPTIONAL; List of Strings.\n The deduplicated notes recorded for the variant.\n\nA null value means no variant data is recorded for this material.",
"examples": [
[
{
"magndata_id": "0.1",
"source": "collinear",
"formula": "LaMnO3",
"symprec": 1e-05,
"phases": [
"AM"
],
"wave_classes": [
"d"
],
"bns": [
"Pn\u2032ma\u2032 (62.448)"
],
"bns_latex": [
"${\\mathrm{Pn}^{\\prime}\\mathrm{ma}^{\\prime}}$ (62.448)"
],
"parent_spacegroups": [
"Pnma (62)"
],
"parent_spacegroups_latex": [
"${\\mathrm{Pnma}}$ (62)"
],
"reference_dois": [
"10.1103/PhysRevB.57.R3189"
]
}
]
]
}