Pandat 2025 _This database contains the structural, thermodynamic, elastic, electronic, magnetic, and optical properties of approximately 4,000 two-dimensional (2D) materials distributed across more than 40 different crystal structures. The types of materials included in the database are: MXY Janus, MXene, TMDC-H, TMDC-T, TMDC-alloy, Xane, Xene, etc. The database contains over 200,000 first-principles calculation results for inorganic crystal materials, including crystal structures, electronic structures, thermodynamic stability, and the dielectric and mechanical properties of materials, which can be used for the design of functional materials, alloys, and energy materials.
