JARVIS-DFT

JARVIS-DFT is a research-grade dft database focused on NIST-curated DFT data for formation energies, optoelectronic properties, elastic tensors, phonons, exfoliation energies, and benchmark-ready materials descriptors. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.

Citation: JARVIS-DFT. Materials dataset resource. https://jarvis.nist.gov/jarvisdft

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