Skip to main content
U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

Crystallographic Data Sources

Published

Author(s)

Vicky L. Karen

Abstract

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 Virtually all structure determinations have been archived in databases that allow ready access and complete coverage.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.
Citation
Physicist's Desk Reference

Keywords

crystal structure, crystallography, data center, database, inorganic data, organic data, phase identification, protein data

Citation

Karen, V. (2017), Crystallographic Data Sources, Physicist's Desk Reference (Accessed May 19, 2024)

Issues

If you have any questions about this publication or are having problems accessing it, please contact reflib@nist.gov.

Created February 19, 2017