Chemical information resources useful for finding chemical and physical properties, as well as more specific resources dealing with spectral, thermodynamic, crystallographic, safety, and phase diagram information.
The Reciprocal Net is a distributed database used by research crystallographers to store information about molecular structures; much of the data is available to the general public. Purdue University is a member.
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.
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.
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.
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.
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.
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.