An open experimental database for exploring inorganic materials
10.1038/sdata.2018.53
Crossref journal-article
Springer Science and Business Media LLC
Scientific Data (297)
Abstract

AbstractThe use of advanced machine learning algorithms in experimental materials science is limited by the lack of sufficiently large and diverse datasets amenable to data mining. If publicly open, such data resources would also enable materials research by scientists without access to expensive experimental equipment. Here, we report on our progress towards a publicly open High Throughput Experimental Materials (HTEM) Database (htem.nrel.gov). This database currently contains 140,000 sample entries, characterized by structural (100,000), synthetic (80,000), chemical (70,000), and optoelectronic (50,000) properties of inorganic thin film materials, grouped in >4,000 sample entries across >100 materials systems; more than a half of these data are publicly available. This article shows how the HTEM database may enable scientists to explore materials by browsing web-based user interface and an application programming interface. This paper also describes a HTE approach to generating materials data, and discusses the laboratory information management system (LIMS), that underpin HTEM database. Finally, this manuscript illustrates how advanced machine learning algorithms can be adopted to materials science problems using this open data resource.

Bibliography

Zakutayev, A., Wunder, N., Schwarting, M., Perkins, J. D., White, R., Munch, K., Tumas, W., & Phillips, C. (2018). An open experimental database for exploring inorganic materials. Scientific Data, 5(1).

Authors 8
  1. Andriy Zakutayev (first)
  2. Nick Wunder (additional)
  3. Marcus Schwarting (additional)
  4. John D. Perkins (additional)
  5. Robert White (additional)
  6. Kristin Munch (additional)
  7. William Tumas (additional)
  8. Caleb Phillips (additional)
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Dates
Type When
Created 7 years, 4 months ago (April 3, 2018, 9:04 a.m.)
Deposited 2 years, 8 months ago (Dec. 20, 2022, 7:48 p.m.)
Indexed 1 hour, 26 minutes ago (Aug. 22, 2025, 12:58 a.m.)
Issued 7 years, 4 months ago (April 3, 2018)
Published 7 years, 4 months ago (April 3, 2018)
Published Online 7 years, 4 months ago (April 3, 2018)
Funders 0

None

@article{Zakutayev_2018, title={An open experimental database for exploring inorganic materials}, volume={5}, ISSN={2052-4463}, url={http://dx.doi.org/10.1038/sdata.2018.53}, DOI={10.1038/sdata.2018.53}, number={1}, journal={Scientific Data}, publisher={Springer Science and Business Media LLC}, author={Zakutayev, Andriy and Wunder, Nick and Schwarting, Marcus and Perkins, John D. and White, Robert and Munch, Kristin and Tumas, William and Phillips, Caleb}, year={2018}, month=apr }