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Crystallography Open Database – an open-access collection of crystal structures

Journal of Applied Crystallography · 2009 · Vol. 42(4) · pp. 726–729

S. Gražulis✉Daniel Chateigner(Université de Caen Normandie)Robert T. Downs(University of Arizona)Alex Yokochi(Oregon State University)M. Quirós(Universidad de Granada)Luca Lutterotti(University of Trento)E. ManakovaJustas ButkusPeter Moeck(Portland State University)A. Le Bail(Centre National de la Recherche Scientifique)

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Abstract

The Crystallography Open Database (COD), which is a project that aims to gather all available inorganic, metal-organic and small organic molecule structural data in one database, is described. The database adopts an open-access model. The COD currently contains ∼80 000 entries in crystallographic information file format, with nearly full coverage of the International Union of Crystallography publications, and is growing in size and quality.

Machine Learning in Materials Science X-ray Diffraction in Crystallography Catalysis and Oxidation ReactionsDatabaseComputer scienceCrystallographyOpen sourceInformation retrievalChemistrySoftware

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