Research data for "Understanding the geometric diversity of inorganic and hybrid frameworks through structural coarse-graining"

This dataset supports the paper: "Understanding the geometric diversity of inorganic and hybrid frameworks through structural coarse-graining", available at the following DOI: 10.1039/d0sc03287e.

The cleaned-up, coarse-grained, and re-scaled structures are provided here in both XYZ and CIF format.  The data presented in the journal publication is also included; namely, MDS coordinates, T densities, and A-site heterogeneities for each structure in the dataset.  T densities -- defined as: metals per unit volume (nm-3) -- are calculated using the re-scaled structures.