The building unit (BU) database consists of all the unique BU extracted from the Computation-Ready, Experimental (CoRE) MOF 2019-ASR database. The CoRE database consists of 14,142 MOF structures. We extracted 4,992 BUs ( including metal nodes, organic linkers, and functional groups) from the entire CoRE database.

The provided database comprises both the experimental and computational BUs. Experimental BUs are essential for the visualization of the MOF chemistry. On the other hand, the computational BUs can be readily employed to construct MOF crystals computationally.

  • 1. Build Units for Hypothetical MOF Construction
  • 2. Build Units