Example embodiments relate to a system and method for searching for a new material. The example method includes acquiring a substitution tendency matrix X including substitution tendency data of ions based on existing crystal structure data, calculating an ion property matrix U by applying a symmetric matrix factorization model to the substitution tendency matrix X, acquiring substitution tendency prediction data based on the calculated ion property matrix U, and calculating probabilities of substitution of new crystal structures based on the substitution tendency prediction data.