Research Guides: Chemical and Physical Property Information: Crystallographic Data

Crystallographic Data

American Mineralogist Crystal Structure Database
This web site is an interface to a crystal structure database that includes every structure published in the American Mineralogist, The Canadian Mineralogist, European Journal of Mineralogy and Physics and Chemistry of Minerals, as well as selected datasets from other journals.
Biological Macromolecule Crystallization Database (BMCD)
The Biological Macromolecule Crystallization Database (BMCD) contains molecule, crystal and crystallization data for macromolecules for which diffraction quality crystals have been obtained. These include proteins and nucleic acids, various complexes, and viruses.

Cambridge Structural Database System (WebCSD)
The CSD is a database of over 300,000 experimentally derived crystal structures for small molecules. The CSD indexes over 700 journals. Structures can be represented in 2D or 3D format and can be exported into Spartan for further visualization and manipulation.
Inorganic Crystal Structure Database
The ICSD contains information on inorganic crystal structures including pure elements, minerals, metals, and intermetallic compounds, including their atomic coordinates, which have been published since 1913. It is updated twice a year, each time adding approximately 3000 new records. As of September 2010, the database contains 132,526 entries.
International Tables for Crystallography
The series comprises of articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials. Emphasis is given to symmetry, diffraction methods and techniques of crystal structure determination, and the physical and chemical properties of crystals.

Nucleic Acid Database (NDB)
The goal of the Nucleic Acid Database Project (NDB) is to assemble and distribute structural information about nucleic acids. The NDB is currently providing information on nearly 5,000 structures.
Other data sources in crystallography...
The International Union of Crystallography (IUCr) has compiled a list of relevant database, both free and fee-based dealing with crystallography. It also provides links to various data gathering agencies and data formats.
Protein Databank (PDB)
The primary worldwide repository for biological macromolecular structure data, published by the Research Collaboratory for Structural Bioinformatics (RCSB).