An extended Tolerance Factor approach for organic–inorganic perovskites

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.