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OPTIMADE, an API for exchanging materials data

Authors :
Casper W. Andersen
Rickard Armiento
Evgeny Blokhin
Gareth J. Conduit
Shyam Dwaraknath
Matthew L. Evans
Ádám Fekete
Abhijith Gopakumar
Saulius Gražulis
Andrius Merkys
Fawzi Mohamed
Corey Oses
Giovanni Pizzi
Gian-Marco Rignanese
Markus Scheidgen
Leopold Talirz
Cormac Toher
Donald Winston
Rossella Aversa
Kamal Choudhary
Pauline Colinet
Stefano Curtarolo
Davide Di Stefano
Claudia Draxl
Suleyman Er
Marco Esters
Marco Fornari
Matteo Giantomassi
Marco Govoni
Geoffroy Hautier
Vinay Hegde
Matthew K. Horton
Patrick Huck
Georg Huhs
Jens Hummelshøj
Ankit Kariryaa
Boris Kozinsky
Snehal Kumbhar
Mohan Liu
Nicola Marzari
Andrew J. Morris
Arash A. Mostofi
Kristin A. Persson
Guido Petretto
Thomas Purcell
Francesco Ricci
Frisco Rose
Matthias Scheffler
Daniel Speckhard
Martin Uhrin
Antanas Vaitkus
Pierre Villars
David Waroquiers
Chris Wolverton
Michael Wu
Xiaoyu Yang
Source :
Scientific Data, Vol 8, Iss 1, Pp 1-10 (2021)
Publication Year :
2021
Publisher :
Nature Portfolio, 2021.

Abstract

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.

Subjects

Subjects :
Science

Details

Language :
English
ISSN :
20524463
Volume :
8
Issue :
1
Database :
Directory of Open Access Journals
Journal :
Scientific Data
Publication Type :
Academic Journal
Accession number :
edsdoj.195f6a32cdad4e099318119238e9d978
Document Type :
article
Full Text :
https://doi.org/10.1038/s41597-021-00974-z