Alexandria PBEsol Complete Database
type: Dataset
description: Database of ground-state properties of 3D materials computed using Density Functional Theory with the PBEsol functional. Complements PBE datasets with distinct exchange-correlation treatment.
license: CC BY 4.0
publisher: Alexandria Project
was derived from: Metadata imported for MatPortal. Directory index containing sharded json.bz2 database files.
keyword: DFT
keyword: PBEsol
keyword: crystal structures
keyword: high-throughput
keyword: convex hull
distribution: Alexandria PBEsol 3D Directory Index

Alexandria PBEsol 3D Directory Index
type: Distribution
access URL: https://alexandria.icams.rub.de/data/pbesol/
format: JSON