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An extended Tolerance Factor approach for organic-inorganic perovskites
Gregor Kieslich1, Shijing Sun1, Anthony K Cheetham1
1Department of Materials Science and Metallurgy , University of Cambridge , 27 Charles Babbage Road , Cambridge CB3 0FS , UK . Email: gk354@cam.ac.uk ;
Abstract:
Goldschmidt's concept of ionic Tolerance Factors was recently shown to be a valuable guideline for the preparation of new compounds within the field of organic-inorganic perovskites. Here, we extend this approach and calculate Tolerance Factors for over 2500 amine-metal-anion permutations of the periodic table. The results suggest the potential existence of more than 600 undiscovered hybrid perovskites including alkaline earth metal and lanthanide based materials.
