OPTIMADE, an API for exchanging materials data.
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ABSTRACT:
SUBMITTER: Andersen CW
PROVIDER: S-EPMC8361091 | biostudies-literature | 2021 Aug
REPOSITORIES: biostudies-literature
Publications
OPTIMADE, an API for exchanging materials data.
Andersen Casper W CW Armiento Rickard R Blokhin Evgeny E Conduit Gareth J GJ Dwaraknath Shyam S Evans Matthew L ML Fekete Ádám Á Gopakumar Abhijith A Gražulis Saulius S Merkys Andrius A Mohamed Fawzi F Oses Corey C Pizzi Giovanni G Rignanese Gian-Marco GM Scheidgen Markus M Talirz Leopold L Toher Cormac C Winston Donald D Aversa Rossella R Choudhary Kamal K Colinet Pauline P Curtarolo Stefano S Di Stefano Davide D Draxl Claudia C Er Suleyman S Esters Marco M Fornari Marco M Giantomassi Matteo M Govoni Marco M Hautier Geoffroy G Hegde Vinay V Horton Matthew K MK Huck Patrick P Huhs Georg G Hummelshøj Jens J Kariryaa Ankit A Kozinsky Boris B Kumbhar Snehal S Liu Mohan M Marzari Nicola N Morris Andrew J AJ Mostofi Arash A AA Persson Kristin A KA Petretto Guido G Purcell Thomas T Ricci Francesco F Rose Frisco F Scheffler Matthias M Speckhard Daniel D Uhrin Martin M Vaitkus Antanas A Villars Pierre P Waroquiers David D Wolverton Chris C Wu Michael M Yang Xiaoyu X
Scientific data 20210812 1
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. ...[more]
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