Crystallography Open Database

Crystallography Open Database

Website: http://www.crystallography.net/
Category: Datasets
Domains: Physics, Chemistry, Crystallography

Overview

The Crystallography Open Database (COD) is an open-access collection of crystallographic data for inorganic, metal–organic and small organic molecule structures. It aims to gather all available published structural data into a single, searchable resource for the scientific community.

Features

• Open-access model

  • Free access to all included structure files.
  • Data provided without paywalls for research and educational use.

• Comprehensive structural coverage

  • Focus on inorganic compounds, metal–organic structures and small organic molecules.
  • Nearly complete coverage of structural data published by the International Union of Crystallography (IUCr) at the time of description.
  • Integrates data contributed from multiple sources, including the American Mineralogist Crystal Structure Database (AMCSD) and various laboratories.

• Large and growing dataset

  • Contains approximately 80,000 crystallographic entries (at the time of the referenced article).
  • Continuous growth through uploads by individuals, laboratories and institutional partners.
  • Includes a dedicated subset, PCOD (Predicted Crystallography Open Database), for predicted structures.

• Standardized data format

  • All entries stored in Crystallographic Information File (CIF) format.
  • Uses the CIF2COD program (derived from CIF2SX) to help ensure quality and standardization of uploaded files.

• Web-based access and tools

  • Accessible via a web interface at crystallography.net.
  • Straightforward search and retrieval interface for locating structures.
  • PHP/MySQL-based backend for handling database queries and data management.

• Community-driven initiative

  • Initiated and maintained by an international group of crystallographers.
  • Accepts contributions from individuals and laboratories.
  • Built to address the historical fragmentation of structural data across several specialized databases by offering a unified resource.

Data Types / Scope

• Inorganic crystal structures.
• Metal–organic frameworks and related structures.
• Small organic molecule structures.

Access & Licensing

• Described as an open-access database; users can freely search and retrieve structure files.
• (Specific license terms are not detailed in the provided content and should be checked on the official site.)

Pricing

• No pricing information is mentioned in the provided content; the database is described as open-access, implying free use for data search and retrieval.