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CRYSTMET: a database of the structures and powder patterns of metals and intermetallics
Peter S White1, John R Rodgers, Yvon Le Page
1Department of Chemistry, CB 3290 Venable Hall, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599-3290, USA. pwhite@pyrite.chem.unc.edu
Abstract:
CRYSTMET is a database of critically evaluated crystallographic data for metals (including alloys, intermetallics and minerals) and associated bibliographic, chemical and physical information. Also included are simulated powder diffraction patterns for all of the entries. The database currently contains almost 70,000 entries and covers the literature exhaustively from 1922 to the present. The database is available on CD-ROM with search/analysis software for use on personal computers. This software can be used with any database in the appropriate format; currently CRYSTMET and the ICSD databases are available. This paper describes the database content, the procedures used in its construction, the software made available to the user and a number of potential uses for the data.