Material genetics is a new paradigm of materials research. Our research group explores "What is the scientific core and key elements of material genetics?" And the development of high-throughput genetic engineering technologies for calculation, preparation, detection and database materials to accelerate the discovery of new materials. Exploring the internal structural elements and interactions of lithium battery materials is an important cornerstone to systematically study the basic and applied scientific problems of lithium battery. The research Center has developed a new paradigm of structural chemistry based on graph theory to build a big data system with more than 600,000 independent crystal structures and a knowledge map of phase structure evolution. By deconstructing all the crystal structures, three key elements such as structural primitives and their connections and interactions are obtained, and a big data system with millions of structural primitives and their connections is constructed. On the basis of structural chemistry and electrochemical research, cross-disciplinary collaborative innovation is organized to study the mechanism and control methods to improve the capacity, charge and discharge rate, safety and life of lithium battery materials and batteries.