Materials discovery and design limits in MDABCO perovskites

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Abstract

We report the structures of three new materials in the MDABCO-based perovskite family. Analysis of the Goldschmidt tolerance factor and octahedral factor enable us to propose compositional limits for pseudo-cubic perovskite phase formation and suggest directions for further materials discovery in this family of new ferroelectrics.

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Gale, S. D., Lloyd, H. J., Male, L., Warren, M. R., Saunders, L. K., Anderson, P. A., & Yeung, H. H. M. (2022). Materials discovery and design limits in MDABCO perovskites. CrystEngComm, 24(41), 7272–7276. https://doi.org/10.1039/d2ce00848c

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