AFLOW

AFLOW is a research-grade dft database focused on high-throughput density-functional-theory calculations, phase stability, electronic structure, crystallography, thermodynamic descriptors, and programmatic screening of inorganic materials. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.

Citation: AFLOW. Materials dataset resource. https://aflow.org

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