Alexandria PBEsol Phonon and Electron-Phonon 3D Database
type: Dataset
description: 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.
license: CC BY 4.0
publisher: Alexandria Project
was derived from: Metadata imported for MatPortal. Directory index with sharded json.bz2 datasets.
keyword: phonon
keyword: electron-phonon coupling
keyword: DFT
keyword: vibrational properties
keyword: high-throughput
distribution: Alexandria PBEsol Phonon and e-ph 3D Data Index

Alexandria PBEsol Phonon and e-ph 3D Data Index
type: Distribution
access URL: https://alexandria.icams.rub.de/data/pbesol_ph/3d/
format: JSON