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OPTIMADE, an API for exchanging materials data

Author
C.W. Anderson
R. Armiento
E. Blokhin
G.J. Conduit
S. Dwaraknath
M.L. Evans
A. Fekete
A. Gopakumar
S. Grazulis
S. Er
A. Merkys
F. Mohamed
C. Oses
G. Pizzi
G. Rignanese
M. Scheidgen
L. Talirz
C. Toher
D. Winston
R. Aversa
K. Choudhary
P. Colinet
S. Curtarolo
D. Di Stefano
C. Draxl
M. Esters
M. Fornari
M. Giantomassi
M. Govoni
G. Hautier
V. Hegde
M.K. Horton
P. Huck
G. Huhs
J. Hummelshoj
A. Kariryaa
B. Kozinsky
S. Kumbhar
M. Liu
N. Marzari
A.J. Morris
A.A. Mostofi
K.A. Persson
G. Petretto
T. Purcell
F. Ricci
F. Rose
M. Scheffler
D. Speckhard
M. Uhrin
A. Vaitkus
P. Villars
D. Waroquiers
C. Wolverton
M. Wu
X . Y. Yang
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.
Year of Publication
2021
Journal
Nature Scientific Data
Volume
8
Number of Pages
217
Date Published
8/2021
DOI
10.1038/s41597-021-00974-z
PId
42049becde634ec8d1f65a8aee0b3cdd
Alternate Journal
Nat. Sci. Data
Label
OA
Journal Article
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