OPTIMADE, an API for exchanging materials data

OPTIMADE，一个用于交换材料数据的API

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作者：Andersen,Casper W,Armiento,Rickard,Blokhin,Evgeny,Conduit,Gareth J,Dwaraknath,Shyam,Evans,Matthew L,Fekete,Ádám,Gopakumar,Abhijith,Gražulis,Saulius,Merkys,Andrius,Mohamed,Fawzi,Oses,Corey,Pizzi,Giovanni,Rignanese,Gian-Marco,Scheidgen,Markus,Talirz,Leopold,Toher,Cormac,Winston,Donald,Aversa,Rossella,Choudhary,Kamal,Colinet,Pauline,Curtarolo,Stefano,Di Stefano,Davide,Draxl,Claudia,Er,Suleyman,Esters,Marco,Fornari,Marco,Giantomassi,Matteo,Govoni,Marco,Hautier,Geoffroy,Hegde,Vinay,Horton,Matthew K,Huck,Patrick,Huhs,Georg,Hummelshøj,Jens,Kariryaa,Ankit,Kozinsky,Boris,Kumbhar,Snehal,Liu,Mohan,Marzari,Nicola,Morris,Andrew J,Mostofi,Arash A,Persson,Kristin A,Petretto,Guido,Purcell,Thomas,Ricci,Francesco,Rose,Frisco,Scheffler,Matthias,Speckhard,Daniel,Uhrin,Martin,Vaitkus,Antanas,Villars,Pierre,Waroquiers,David,Wolverton,Chris,Wu,Michael,Yang,Xiaoyu
期刊：Scientific Data影响因子：6.900
时间：2021起止号：2021 Aug 12;8(1):217
doi：10.1038/s41597-021-00974-z靶点： TIM

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.

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