Nanoporous materials with predicted zeolite topologies

Abstract

An increasing number of newly synthesized materials have been found to be previously present in databases of predicted porous materials. This has been observed not only for zeolites, but also for other inorganic materials and for MOFs. We here quantify the number of synthesized zeolites that are present in a large database of predicted zeolite structures as well as the number of other inorganic crystals and MOFs present in this same database. We find a significant number of real materials are in this predicted database of zeolite-like structures. These results suggest that many other predicted structures in this database may be suitable targets for designer materials synthesis.