CSD MOF Collection

The CSD MOF collection contains just over 12,000 MOF crystal structures available to use for free in academic research.

 

As the variety of metal-organic framework (MOF) structures has grown, we wanted to ensure research in this field continues – with high quality data to underpin it. The CSD MOF collection makes 12,505 3D porous MOFs out of the 100,000+ MOF-like frameworks in the CSD freely accessible for academic research.

 

 

 

A picture of refcode WUTXUH, one of the MOF structures included in the collection: the left image shows the CSD entry, with solvent molecules present, the right image is the equivalent entry from the CSD MOF collection with reduced symmetry, solvent removed and hydrogen atoms added.


FAQs

The collection includes 12,505 individual single-block CIF files, plus four explanatory sheets in .csv format. Each structure comes from published experimental work from the CSD, and has been curated and checked by our expert team of editors.

These structures were selected to provide a representative selection for high-throughput analysis by focussing the collection on 3D frameworks with appreciable void space.

For larger studies, the full CSD contains over 100,000 MOFs.

The collection includes three sub-categories;

  • charged frameworks
  • those with automatically added hydrogen, and
  • structures where hydrogen addition could not be accurately applied for all atoms

 

Any suitable software can be used to search and visualise the CIF files – we recommend the free version of Mercury, our desktop search and visualisation program. Learn more and download it here.

Yes – the collection is free to use for non-commercial research, but you are encouraged to review the licence wording.

Creative Commons License
The CSD MOF collection is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License.

Download the collection here – you will need to provide a current email address and agree to the licence.

For industrial research a full CSD licence will give you access to over 100,000 MOFs. Each structure comes from published experimental work, and the database is curated and verified through a series of rigorous automatic and manual checks by our in-house editors.

Learn more and request a trial period here.