COD Search Structures

Overview

Search the Crystallography Open Database (COD) for crystal structures by chemical formula, elements, space group, mineral name, or compound name. COD is the largest open-access collection of crystal structures with 500,000+ experimentally determined structures. Returns unit cell parameters (a, b, c, alpha, beta, gamma), space group, chemical formula, mineral/compound name, and publication details (DOI, journal, authors). Useful for materials science, chemistry, mineralogy, and solid-state physics research.

Status

The most recent probe succeeded. Safe to call from the agent today.

Last probed

1d ago

Last success

1d ago

Last latency

846ms

Schema

JSON Schema the agent (or your API call) must match.

{
  "properties": {
    "commonname": {
      "description": "Common/trivial name search (partial match). Examples: 'quartz', 'perovskite', 'zeolite', 'diamond'",
      "type": [
        "string",
        "null"
      ]
    },
    "el1": {
      "description": "First required element (chemical symbol). Examples: 'Cu', 'Fe', 'Si', 'C', 'N'",
      "type": [
        "string",
        "null"
      ]
    },
    "el2": {
      "description": "Second required element (chemical symbol)",
      "type": [
        "string",
        "null"
      ]
    },
    "el3": {
      "description": "Third required element (chemical symbol)",
      "type": [
        "string",
        "null"
      ]
    },
    "formula": {
      "description": "Chemical formula to search (use spaces between elements). Examples: 'Fe2 O3', 'Si O2', 'Na Cl', 'C H4'. Exact formula matching.",
      "type": [
        "string",
        "null"
      ]
    },
    "max_results": {
      "description": "Alias for 'results'. Maximum number of results to return (default 100, use smaller values for speed, e.g. 5 or 10)",
      "type": [
        "integer",
        "null"
      ]
    },
    "mineral": {
      "description": "Mineral name search (partial match). Examples: 'calcite', 'feldspar', 'pyrite', 'magnetite'",
      "type": [
        "string",
        "null"
      ]
    },
    "nel": {
      "description": "Number of distinct elements in formula (e.g., '2' for binary compounds, '3' for ternary)",
      "type": [
        "string",
        "null"
      ]
    },
    "query": {
      "description": "Alias for 'text'. Free text search across titles, keywords, and compound names. Examples: 'aspirin', 'perovskite', 'diamond'",
      "type": [
        "string",
        "null"
      ]
    },
    "results": {
      "description": "Maximum number of results to return (default 100, use smaller values for speed, e.g. 5 or 10)",
      "type": [
        "integer",
        "null"
      ]
    },
    "sg": {
      "description": "Space group symbol (Hermann-Mauguin notation). Examples: 'P 21/c', 'Fm -3 m', 'P 1'",
      "type": [
        "string",
        "null"
      ]
    },
    "sgNumber": {
      "description": "Space group number (1-230). Examples: '225' (Fm-3m, FCC metals), '62' (Pnma, common for perovskites)",
      "type": [
        "string",
        "null"
      ]
    },
    "spacegroup": {
      "description": "Alias for 'sg'. Space group symbol (Hermann-Mauguin notation). Examples: 'P 21/c', 'Fm -3 m', 'P 1'",
      "type": [
        "string",
        "null"
      ]
    },
    "text": {
      "description": "Free text search across titles, keywords, and compound names. Examples: 'aspirin', 'perovskite', 'diamond', 'zeolite', 'ice'",
      "type": [
        "string",
        "null"
      ]
    }
  },
  "required": [],
  "type": "object"
}

Examples (1)

{}

Identifiers

Catalog ID

tu_COD_search_structures

Tool name

COD_search_structures

Added

2026-04-30 22:47Z

Tags

tooluniverse