Crystallography Open Database
An open-access collection of crystal structure data, included in an awesome directory of physics-related open datasets.
About this tool
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
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Open-access model
- Free access to all included structure files.
- Data provided without paywalls for research and educational use.
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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.
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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.
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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.
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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.
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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.
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