This page documents an OPTIMADE Property Definition. See https://schemas.optimade.org/ for more information.
ID: https://schemas.anyterial.se/defs/v0.1/properties/spacegroups/setting_it_nc
Definition name: setting_it_nc
Property name: International Tables setting code n:c
Description: International Tables setting identifier in n:c notation.
Type: string
The part before the colon is the International Tables space-group number. The part after the colon is the coordinate-system or origin-choice qualifier used to distinguish settings that share the same IT number.
Requirements/Conventions:
1.b1, -b1, c2, or a3.abc, cab, 1abc, or 2bca when needed.1 and 2; trigonal axis choices use qualifiers such as h and r.Examples:
"1""2"JSON definition:
{
"$id": "https://schemas.anyterial.se/defs/v0.1/properties/spacegroups/setting_it_nc",
"$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
"title": "International Tables setting code n:c",
"x-optimade-type": "string",
"x-optimade-definition": {
"kind": "property",
"version": "0.1.0",
"format": "1.3",
"name": "setting_it_nc",
"label": "setting_it_nc_spacegroups"
},
"type": [
"string",
"null"
],
"description": "International Tables setting identifier in `n:c` notation.\n\nThe part before the colon is the International Tables space-group number.\nThe part after the colon is the coordinate-system or origin-choice qualifier used to distinguish settings that share the same IT number.\n\n**Requirements/Conventions**:\n\n- Triclinic, hexagonal, and many unique settings use only the IT number, for example `1`.\n- Monoclinic settings use qualifiers such as `b1`, `-b1`, `c2`, or `a3`.\n- Orthorhombic settings use qualifiers such as `abc`, `cab`, `1abc`, or `2bca` when needed.\n- Tetragonal and cubic origin choices use qualifiers such as `1` and `2`; trigonal axis choices use qualifiers such as `h` and `r`.",
"x-optimade-unit": "inapplicable",
"examples": [
"1",
"2"
]
}