This page documents an OPTIMADE Property Definition. See https://schemas.optimade.org/ for more information.
ID: https://schemas.optimade.org/defs/v1.2/properties/optimade/common/chemical_symbol_or_vacancy
Definition name: chemical_symbol_or_vacancy
Property name: chemical symbol or vacancy
Description: A chemical symbol referring to an element, a non-chemical element, or a vacancy.
Type: string
Requirements/Conventions:
Must be one of the following:
"X"
to represent a non-chemical element, or"vacancy"
to represent that this site has a non-zero probability of having a vacancy.Examples:
"He"
"X"
"vacancy"
JSON definition:
{
"$id": "https://schemas.optimade.org/defs/v1.2/properties/optimade/common/chemical_symbol_or_vacancy",
"$schema": "https://schemas.optimade.org/meta/v1.2/optimade/property_definition.json",
"title": "chemical symbol or vacancy",
"x-optimade-type": "string",
"x-optimade-definition": {
"label": "chemical_symbol_or_vacancy_optimade_common",
"kind": "property",
"version": "1.2.0",
"format": "1.2",
"name": "chemical_symbol_or_vacancy"
},
"description": "A chemical symbol referring to an element, a non-chemical element, or a vacancy.\n\n**Requirements/Conventions:**\n\n- Must be one of the following:\n\n - a valid chemical-element symbol, or\n - the special value `\"X\"` to represent a non-chemical element, or\n - the special value `\"vacancy\"` to represent that this site has a non-zero probability of having a vacancy.",
"x-optimade-unit": "inapplicable",
"examples": [
"He",
"X",
"vacancy"
],
"type": [
"string"
],
"enum": [
"X",
"H",
"He",
"Li",
"Be",
"B",
"C",
"N",
"O",
"F",
"Ne",
"Na",
"Mg",
"Al",
"Si",
"P",
"S",
"Cl",
"Ar",
"K",
"Ca",
"Sc",
"Ti",
"V",
"Cr",
"Mn",
"Fe",
"Co",
"Ni",
"Cu",
"Zn",
"Ga",
"Ge",
"As",
"Se",
"Br",
"Kr",
"Rb",
"Sr",
"Y",
"Zr",
"Nb",
"Mo",
"Tc",
"Ru",
"Rh",
"Pd",
"Ag",
"Cd",
"In",
"Sn",
"Sb",
"Te",
"I",
"Xe",
"Cs",
"Ba",
"La",
"Ce",
"Pr",
"Nd",
"Pm",
"Sm",
"Eu",
"Gd",
"Tb",
"Dy",
"Ho",
"Er",
"Tm",
"Yb",
"Lu",
"Hf",
"Ta",
"W",
"Re",
"Os",
"Ir",
"Pt",
"Au",
"Hg",
"Tl",
"Pb",
"Bi",
"Po",
"At",
"Rn",
"Fr",
"Ra",
"Ac",
"Th",
"Pa",
"U",
"Np",
"Pu",
"Am",
"Cm",
"Bk",
"Cf",
"Es",
"Fm",
"Md",
"No",
"Lr",
"Rf",
"Db",
"Sg",
"Bh",
"Hs",
"Mt",
"Ds",
"Rg",
"Cn",
"Uut",
"Uuq",
"Uup",
"Uuh",
"Uus",
"Uuo",
"Nh",
"Fl",
"Mc",
"Lv",
"Ts",
"Og"
]
}