Welcome to the Computation-Ready, Experimental (CoRE) Metal-Organic Frameworks Database!

High-throughput computational screening of metal-organic frameworks rely on the availability of disorder-free atomic coordinate files which can be used as input to simulation software packages.

We have created CoRE MOF database and its variants which contains almost all MOFs that have been reported in the literature. We expect the database to continue to grow so please check back for new updates!



Disclaimer: Although we have tried our best to remove any errors (i.e., disorders) and bugs (i.e., structures that are not MOFs) associated with the crystal structures in the databases, there could still be bugs and errors in the database. If you want to report such errors/bugs, or have other issues about any of databases, please send an e-mail to greg.chung[at]pusan.ac.kr .

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Financial Support

CoRE MOF 2019 is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences through the Nanoporous Materials Genome Center under award numbers DE-FG02-12ER16362 and DE-FG02-17ER16362 and the Basic Science Research Program through the National Re-search Foundation of Korea (NRF) funded by the Ministry of Education (NRF-2016R1D1A1B3934484).

These databases were developed through a collaboration of research groups participating in the Nanoporous Materials Genome Center that is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Award DEFG02-12ER16362 and used resources of the Argonne Leadership Computing Facility (ALCF) at Argonne National Laboratory, which is supported by the Office of Science of the Department of Energy under contract DE-AC02-06CH11357.