Crystallography has a long and successful history of self-organization and was one of the first areas to create numerical scientific databases. Virtually all structure determinations have been archived in databases that allow ready access and complete coverage. Crystallographic databases and computational archives support research on a daily basis for thousands of scientists worldwide. Although the earliest uses of these databases typically focused on one entry at a time for purposes of identifying or finding related compounds, gradually this began to shift towards using larger subsets or even the entire database as a basis for research. Today, scientists use crystallographic data models to visualize, explain and predict behavior of chemicals, materials or biological compounds. There are two major categories of crystallographic databases: the full structural and the identification databases. This paper aims to identify the principle sources of crystallographic data, describe the scope of coverage, and provide a point of contact for further information.
Physicist's Desk Reference
crystal structure, crystallography, data center, database, inorganic data, organic data, phase identification, protein data