Open Access Data

Here you can find open access data resources for applying machine learning.

Combinatorial Library Data

These are materials properties datasets for composition spreads, where materials span a given composition space. These datasets are useful when benchmarking machine learning methods for materials discovery and optimization. A data description file is included in each folder.

• Fe-Co-Ni
  • Please Cite:
    • Wang, A., et al. arXiv preprint arXiv:2204.05838 (2022).
    • Yoo, Y. K. et al. Intermetallics 14, 241–247 (2006).
• Fe-Ga-Pd
  • Please Cite:
    • Kusne, A. G., et al. Nature communications 11.1 (2020): 1-11.
    • Long, C. J., et al. Review of Scientific Instruments 78.7 (2007): 072217.

General

These resources include both experimental and computational data.

• Materials Resource Registery
• Materials Data Facility
  

Computation-based

• AFLOW: Automatic FLOW for Materials Discovery
• JARVIS: Joint Automated Repository for Various Integrated Simulations
• OQMD: Open Quantum Materials Database
• Materials Project

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