Crystallography Open Database
网页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 of Cambridge under supervision of Peter Murray-Rust.
Crystallography Open Database
网页The COD offers 2 powerful options for a search: By combining in the way you choose: text (2 words or parts of words), elements (1 to 8, with formula numbers or not), volume (min and max), and strict number of elements. There is no obligation for filling all boxes, of course.
Crystallography Open Database: Browse the COD
网页Organometallics. Journal of the American Chemical Society. Dalton transactions (Cambridge, England : 2003) Acta Crystallographica Section C. Chemical Communications. CrystEngComm. Crystal Growth & Design. Journal of Organic Chemistry. Acta Crystallographica Section B.
Crystallography Open Database
网页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 quantification is done with the phases identified.
Open Database - Crystallography
网页The P2D2 (Predicted Powder Diffraction Database) contains all powder patterns calculated from the PCOD, assembled in a system allowing for search-match (by EVA from Bruker). Have also a look at the COD containing really observed crystal structures.
Crystallography Open Database: search using JSME
网页Draw a structure or a fragment to search in the COD. Note: substructure search by SMARTS is currently available in a subset of the COD containing 232459 structures.
Theoretical Crystallography Open Database
网页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. Currently there are 7486 entries in the TCOD.
Crystallography Open Database
网页Crystallography Open Database. 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.
Crystallography Open Database: Search results
网页Download all results as: list of COD numbers | list of CIF URLs | data in CSV format. We are unable to provide that many records as a single archive. You can instead download the entire COD archive as a single .zip, .tgz or .txz archive. Displaying all data in COD.
Crystallography Open Database: Information card for entry 9008463
网页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