PSDI Data Sources
This section of the Knowledge Base is currently being worked on. The structure and content of topics will be updated as this work progresses. If you need help with using PSDI Data Sources, contact us.
PSDI provides access to over 30 different databases and repositories of physical sciences data. This section of the Knowledge Base provides an introduction to just a few of the data sources that we provide. To see a list of all the data sources available through PSDI, see Data Sources on our What We Provide pages.
PSDI Cross Data Search Service
Most of the data sources we provide access to can be searched using the PSDI Cross Data Search Service.
To help you use the PSDI Cross Data Search Service, refer to the following guidance on this Knowledge Base:
You can find out which data sources are included in the PSDI Data Search using our What We Provide pages, see Data Sources for PSDI Cross Data Search and Optimade Providers.
Licensed data sources provided through PSDI
PSDI provides access to licensed data sources that are restricted to UK Academics. To use these services you will need to log into PSDI using your academic institution account. To find out more about each data source, follow the links in the table below.
| Resource Type | Description | |
|---|---|---|
| Cambridge Structural Database (CSD) | Crystallography (Organic) | The CSD is a collection of over a million small-molecule organic and organometallic crystal structures that can be visualised and downloaded. The CSD can be searched using the PSDI Cross Data Search Service, accessed using a browser with WebCSD, or via a Remote Desktop connection. |
| Inorganic Crystal Structure Database (ICSD) | Crystallography (Inorganic) | ICSD is the world's largest database for completely identified inorganic crystal structures, provided by FIZ Karlsruhe GmbH for the scientific and the industrial community. It contains experimental inorganic and metal-organic structures, and also theoretical inorganic structures. |
| DETHERM | Properties | DETHERM combines data from multiple sources to create one of the world's largest thermophysical databases. |
Community Data Collections
PSDI's Community Data Collections is a collaborative, community-focused research data repository that enables open sharing, discovery, and reuse of valuable datasets. You can read more about the repository, how to search for records within the collections, and learn how to join the supported communities in our PSDI Community Data Collections guidance.
Alternatively, you can visit the PSDI Community Data Collections homepage or use the following links to find out more about the community collections we support:
Other PSDI data sources
Visit the following data sources directly to access their data:
- Collaborative Computational Project for NMR Crystallography (CCP-NC) Magres Database
- Critical Micelle Concentration (CMC) Data Collection
- Example Galaxy XAFS RO-Crate Workflows
- Physical Chemistry Properties Data Collection
You can access details of all the data sources provided by PSDI and our partners from Data Sources.
What to do next
- Find out more about PSDI resources
- Explore our data sources using the PSDI Cross Data Search service
- Try out the Skills 4 Scientists self-paced learning courses including one on databases.
Related links:
- Creator: Cerys Willoughby
- Last modified date: 2026-01-21
- Citation: Please cite: Cerys Willoughby, PSDI Data Sources, https://guidance.psdi.ac.uk/docusaurus-pages/docs/guidance/psdi-resources/data-sources/, PSDI (modified 2026-01-21)
- License: CC-BY-4.0
If you would like to contribute content to the PSDI Knowledge Base or have feedback you would like to give on this guidance, please contact us.