Materials Property Database for Hybrid Organic-Inorganic Perovskites

Hybrid organic-inorganic semiconductors (HOIS), particularly perovskites, form a diverse group of semiconductor materials with tunable properties through targeted variations of both organic and inorganic components. We here describe the current status of the HybriD³ database (https://materials.hybrid3.duke.edu), a curated database of both experimentally and computationally assessed HOIS materials and their properties. Over 400 unique compounds are currently included in the database, including, where available, synthesis information, crystal and band structures, optoelectronic, magnetic, thermal and other properties. We showcase the use of the HybriD³ database for several examples and also highlight the underlying MatD³ software [1], a package that enables the creation of other individual web-facing materials databases beyond HOIS. As a community resource, the HybriD³ database is open for external user data input.

[1] Journal of Open Source Software 5, 1945 (2020). DOI: 10.21105/joss.01945