OPTIMADE, an API for exchanging materials data

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Authors

Casper W. Andersen · École Polytechnique Fédérale de Lausanne

Rickard Armiento · Linköping University

Evgeny Blokhin

Gareth J. Conduit

Shyam Dwaraknath · Lawrence Berkeley National Laboratory

Matthew L. Evans · UCLouvain

Ádám Fekete · King's College London

Abhijith Gopakumar · Northwestern University

Saulius Gražulis

Abstract

The 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.

Topics & Keywords

Machine Learning in Materials Science X-ray Diffraction in Crystallography Material Selection and Properties

Publication Details

Published in: Scientific Data

Volume 8, Issue 1, pp. 217-217

DOI: 10.1038/s41597-021-00974-z

Field-Weighted Citation Impact: 4.97

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OPTIMADE, an API for exchanging materials data

Authors

Abstract

Topics & Keywords

Publication Details