NIST Surface Structure Database

NIST Surface Structure Database is a research-grade surface crystallography database focused on surface structures, reconstructions, and crystallographic information for catalysis, thin films, and surface-science modeling. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.

Citation: NIST Surface Structure Database. Materials dataset resource. https://www.nist.gov/srd/nist-surface-structure-database-srd-42

Acknowledgement: Curated by MaterialsAtlas Open Resources from public data portals, official project pages, benchmark suites, repositories, and publication-linked archives.