Repository logo
 

OPTIMADE, an API for exchanging materials data.

Published version
Peer-reviewed

Repository URI

https://www.repository.cam.ac.uk/handle/1810/328771

Repository DOI

https://doi.org/10.17863/CAM.76217
Thumbnail Image

Files

Published version (1.63 MB)

Type

Article

Change log

Authors

Blokhin, Evgeny  ORCID logo  https://orcid.org/0000-0002-5333-3947
Dwaraknath, Shyam  ORCID logo  https://orcid.org/0000-0003-0289-2607

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.

Description

Keywords

36 Creative Arts and Writing, 46 Information and Computing Sciences, 4612 Software Engineering

Journal Title

Sci Data

Conference Name

Journal ISSN

2052-4463
2052-4463

Volume Title

8

Publisher

Springer Nature

Publisher DOI

https://doi.org/10.1038/s41597-021-00974-z

Rights and licensing

Attribution 4.0 International
Except where otherwised noted, this item's license is described as Attribution 4.0 International
Sponsorship
Royal Society (IMF130944)
The Royal Society (uf130122)
Royal Society (RGF/EA/180034)
Royal Society (URF\R\201002)
Engineering and Physical Sciences Research Council (EP/L015552/1)
European Commission Horizon 2020 (H2020) Research Infrastructures (RI) (951786)
European Commission Horizon 2020 (H2020) Research Infrastructures (RI) (676580)

Collections

University of Cambridge Research Outputs (Articles and Conferences)