In this paper, we report a comprehensive and systematic study for predicting the formability of double halide perovskites. Besides the tolerance factor, several complementary criteria for the formation and lattice distortion have been developed and compared with a throughout multivariate technique based on the principal component analysis (PCA) and the partial least square (PLS) methods. Some empirical equations expressing the relationships between the different ionic radii and the electronegativities and the lattice constants of double halide perovskites have been found.
We present in this work an approach to predict which compounds among perovskites and inverse perovskites with the potential for achieving high hardness and fracture toughness for applications as a thermal barrier coating (TBC). We employ a throughout multivariate technique based on the principal component analysis (PCA). Among the 129 tested perovskites and inverse perovskites, only ~ 10 compounds may exhibit an interesting potential as thermal barrier coating. These results may serve as a map for the design of perovskite-related new multilayer ultra-hard coating materials.
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