Materials Project

Materials Project is a database site for computational information on known and predicted inorganic materials. Materials Project contains more than 140 000 material data (crystal structures, molecules, band structures, density of states, tensor quantities (elastic, dielectric, piezoelectric), XANES, EXAFS, charge density). To search for the material users want, a web page is available to narrow down the search by physical properties obtained experimentally, calculated values, and synthesis methods. A Materials Project API for direct access to data and an analysis application based on first-principles calculations (to calculate phase diagrams, aqueous solution stability, solid-state reaction energies, and solid-solid contact surface reaction energies respectively) are also provided.