High-throughput Density Functional Theory (DFT) property database for 2D low-dimensional materials calculated using the OptB88vDW functional. Fills a critical dimensionality gap.
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High-throughput Density Functional Theory (DFT) property database for 3D materials calculated using the OptB88vDW functional. Contains electronic, elastic, vibrational, and piezoelectric properties for over 75,000 structures.
Superconductivity benchmark database containing calculated superconducting transition temperature (Tc) values, Eliashberg functions, and electron-phonon coupling properties for 3D materials.