These are the primary resources we have for crystallographic data. Consult our crystallography research guide for more resources.
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Cambridge Structural Database [More about CSD]
- 1.3 million entries: small-molecule organic and metal-organic crystal structures. Each entry includes crystal structure information, chemical/physical property data, and associated journal article references.
- For the full suite of CSD databases (CSD-Enterprise):
- Go to the UC software distribution site and select UCSD to get our site code and activation key (VPN required if off campus).
- Go to the CCDC software download site and enter your email address and our site code and activation key. You will receive the links to download the CSD programs (Windows, OSX, Linux). Then follow the instructions to install and activate ConQuest and the other programs.
- You can also search the CSD structures online, via WebCSD/Access Structures. The basic search is free, but to access all of the search options and download more information from the records, you want to be on the UCSD campus network or VPN.
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Inorganic Crystal Structure Database
- More than 307,000 inorganic crystal structures, with associated crystallographic information, property data, and journal article references.
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Powder Diffraction File - PDF-5+ [information]
- 442,600+ inorganic and 623,000+ organic entries with diffraction data and associated bibliographic references.
- Please contact tmvogel@ucsd.edu for information on accessing PDF-5+. Access is restricted to UC San Diego faculty, students, and staff.
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Landolt-Börnstein / SpringerMaterials [information]
- Large collection of property data that includes some volumes of crysSpringerMaterials is free to search, but we don't have a license for the database.
- We have the pre-2010 Landolt content online in Portico. See the Landolt/Portico handout for instructions.
- If you need a crystal structure from the Inorganic Solid Phases collection, you may be able to locate what you need in one of the other databases listed here.
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SciFinder and Reaxys [more]
Key databases for chemical property data and associated journal article references.
- From the chemical substance record in SciFinder, check the Experimental Properties and/or look at the references (limiting results to crystal structure). You can also search it as a topic (crystal structure and ......).
- SciFinder-n requires a one-time registration, then logging in with each use (use VPN to access if off campus).
- In Reaxys, consult the Physical Properties section of the substance record.
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