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Hybrid or organic plastic crystals have the potential as lead-freealternatives to conventional inorganic ferroelectrics. These materials aregaining attention for their multiaxial ferroelectricity, above-room-temperatureCurie temperatures, and low-temperature synthesis. Here, we report a screeningstudy of the Cambridge Structural Database (CSD) resulting in 55 new candidateplastic and plastic ionic ferroelectric molecular crystals, along with 16previously reported ferroelectrics. With over 1.2 million entries in the CSD,the screening procedure involved many steps, including considerations ofmolecular geometry and size, space group, and hydrogen bonding pattern. Thespontaneous polarization and electronic band gaps were predicted using densityfunctional theory. 21 of the candidate ferroelectrics have a polarizationgreater than $10 \mathrm{{\mu}C/cm^2}$, out of which nine are reported at roomtemperature.

Discovering Ferroelectric Plastic (Ionic) Crystals in the Cambridge Structural Database: Database Mining and Computational Assessment