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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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.
Superconductivity benchmark database containing calculated superconducting transition temperature (Tc) values and coupling constants for 2D monolayer structures. Complements 3D superconductivity set.
Superconductivity benchmark database containing calculated superconducting transition temperature (Tc) values, Eliashberg functions, and electron-phonon coupling properties for 3D materials.