Hypothetical Hydrogen-bonded Organic Frameworks (HypoHOFs)

This is a supplementary version. The specific material structure can be referred to the previously uploaded data A theoretically constructed HOF database, containing nearly 110,000 materials, with charge assignments and calculations of chemical and physical properties. This work was supported by National Natural Science Foundation of China (No. 22108256). Key features of this version: This release provides building block units compatible with pormake for convenient structure generation and high-throughput screening. Note that some CIF files in earlier versions may contain a small number of structurally unreasonable configurations due to lack of systematic optimization. This database will be continuously updated, and new structures will be released in future versions. If you find this work helpful, please consider citing the relevant literature. Chem. Sci., 2025, DOI: 10.1039/D5SC04332H AlChE J., 2024, 70, e18575.