OPTIMADE, an API for exchanging materials data.

Authors :: Andersen CW
Armiento R
Blokhin E
Conduit GJ
Dwaraknath S
Evans ML
Fekete Á
Gopakumar A
Gražulis S
Merkys A
Mohamed F
Oses C
Pizzi G
Rignanese GM
Scheidgen M
Talirz L
Toher C
Winston D
Aversa R
Choudhary K
Colinet P
Curtarolo S
Di Stefano D
Draxl C
Er S
Esters M
Fornari M
Giantomassi M
Govoni M
Hautier G
Hegde V
Horton MK
Huck P
Huhs G
Hummelshøj J
Kariryaa A
Kozinsky B
Kumbhar S
Liu M
Marzari N
Morris AJ
Mostofi AA
Persson KA
Petretto G
Purcell T
Ricci F
Rose F
Scheffler M
Speckhard D
Uhrin M
Vaitkus A
Villars P
Waroquiers D
Wolverton C
Wu M
Yang X
Source :: Scientific data [Sci Data] 2021 Aug 12; Vol. 8 (1), pp. 217. Date of Electronic Publication: 2021 Aug 12.
Publication Year :: 2021
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.<br /> (© 2021. The Author(s).)