Computational database of phonon dispersions, vibrational properties, and electron-phonon coupling matrices calculated using DFT with PBEsol. Complements structural corpora with transport-relevant property metrics.
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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.