Overview
AFLOWlib.org is a comprehensive materials science repository that hosts a vast collection of calculated properties for inorganic crystalline compounds. It leverages computational methods, primarily density functional theory (DFT), to generate and organize data related to materials' structural, electronic, and thermodynamic characteristics. The database aims to accelerate materials discovery and design by offering researchers readily accessible and reliable data. Users can search for materials based on composition, structure, or properties and access calculated information such as band gaps, elastic constants, and formation energies. AFLOWlib.org serves as a valuable resource for materials scientists, physicists, chemists, and engineers involved in materials research and development, providing a platform for data sharing and collaboration.
Common tasks