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Nature Research, Scientific Data, 1(8), 2021

DOI: 10.1038/s41597-021-00974-z

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OPTIMADE, an API for exchanging materials data

Journal article published in 2021 by Casper W. Andersen, Rickard Armiento, Evgeny Blokhin ORCID, Gareth J. Conduit, Shyam Dwaraknath ORCID, Matthew L. Evans, Ádám Fekete, Abhijith Gopakumar, Saulius Gražulis, Andrius Merkys ORCID, Fawzi Mohamed, Corey Oses, Giovanni Pizzi ORCID, Gian-Marco Rignanese ORCID, Markus Scheidgen and other authors.
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

AbstractThe Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible and interoperable. We outline the first stable release of the specification, v1.0, which is already supported by many leading databases and several software packages. We illustrate the advantages of the OPTIMADE API through worked examples on each of the public materials databases that support the full API specification.