Open-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers. Including data and software from CrystalEye, developed by Nick Day at the department of Chemistry, the University …

Given that the COD was built mainly for verifying if, knowing your sample cell, you are not redetermining an already known structure, these above search possibilities should fulfill your needs (especially option 2 and using volume ranges, requiring the cell knowledge).

Crystal Growth & Design Journal of Organic Chemistry Acta Crystallographica Section B Dalton Transactions Organic Letters American Mineralogist Journal of the Chemical Society, Dalton Transactions New Journal of Chemistry Organic & biomolecular chemistry Zeitschrift für Kristallographie - New Crystal Structures Chemistry of materials

November 2014: The "FPSM method" uses a Rietveld like fitting procedure to test all possible crystal structures from the Crystallography Open Database, rank them and find the more probable in your diffraction pattern. In the end a Rietveld phase …

characteristics of a well-defined group of crystal structures (N-connected 3D nets with N ¼ 3;4;5;6 and possible combinations of two N values), allowing to explore the possible models, retrieving those already known (a proof of efficiency), and listing those yet to be synthesized, in a selected range of cell parameters. Exploring AB

Open-access collection of theoretically calculated or refined crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers. All data on this site have been placed in the public domain by the contributors. …

structures (comparing unit cells, space groups, coordinates and measurement conditions) but did not yet have the AMCSD ID; - Adding new mineral names, compound sources, measurement conditions

Database of crystal structures. International Union of Crystallography permits systematic downloads of coordinates files published in the IUCr journals; COD is updating its coordinate archive and the database from the IUCr web site on a regular basis.More than 20000 CIF files are downloaded at the moment.

Note: substructure search by SMILES is currently available in a subset of COD containing 242093 structures.

will be easier to search for structures using the _chemical_formula_sum values. Only those files and thos lines that really needed to be changed were changed; otehrwise the CIFs were not reformatted. The procedure was as follows: first, all files were passed through a 'cif_filter--parse-formula-sum' command, and the lines containing