Purpose and Features of Web-Based Open-Access Crystallographic Databases

Roughly 5,000 new crystal structures are added to the (approximately 104,000 entry) Inorganic Crystal Structure Database each year (see http://icsdweb.fiz-karlsruhe.de/index.php for an approximately 4,000 entry demonstration version). Other commercial crystallographic databases specialize in organics, metals and alloys, and ``non-organics'' including minerals. This presentation gives an overview over these databases and evaluates the potential of open-access databases such as the (approximately 68,000 entry) Crystallography Open Database (http://crystallography.net/) and Portland State University's (PSU's) Wiki Crystallography Database, Crystal Morphology Database, and Nano-Crystallography Database (http://nanocrystallography.research.pdx.edu/CIF-searchable). Key features of open-access crystallographic databases are: a universal data exchange format, unrestricted internet access to the actual data (including downloads), search capabilities, and crystal structure identification functionalities. Interactive three-dimensional structure or morphology visualizations are also available at PSU's site. Most recently, we implemented at PSU community-based, Wikipedia-inspired data upload and database content management provisions. A selection of all of these features will be demonstrated (online) during the presentation.