Property Prediction for Multicomponent Compounds

Abstract : The new inorganic quaternary compounds most promising for searching for novel electro-optical (EO) materials are predicted on the base of the use of computer learning strategies. The basic working hypothesis of this investigation was that only compounds with acentric crystal space groups can have by EO properties. It is expected that new EO compounds will be similar in composition and crystal structure to already known compounds. The crystal chemical types were selected on the base of analysis of information of our DB on the properties of crystals of acousto-optical, electro-optical, and nonlinear-optical materials.