Nature science is built on physical and chemicals principles concluded from numerous experimental data. Materials informatics (MI) aims to decrease the period and cost of materials development by discovering regulations and patterns from materials data by AI technologies, taking the advantages of huge data capacity and powerful data processing ability of modern computer systems. Our research is to design and explore novel inorganic materials using MI methods by discovering and optimizing dominant factors of material structure, property and processing, based on data of material constitution, structure, property and processing collected so far and from now on. We also develop first principle-based methods and programs to calculate electronic structure and phonon properties, and systematically generate the data through high throughput computation.