OPTIMADE, an API for exchanging materials data.

Journal Article (Journal Article)

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.

Full Text

Duke Authors

Cited Authors

  • Andersen, CW; Armiento, R; Blokhin, E; Conduit, GJ; Dwaraknath, S; Evans, ML; Fekete, Á; Gopakumar, A; Gra┼żulis, S; Merkys, A; Mohamed, F; Oses, C; Pizzi, G; Rignanese, G-M; 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

Published Date

  • August 12, 2021

Published In

Volume / Issue

  • 8 / 1

Start / End Page

  • 217 -

PubMed ID

  • 34385453

Pubmed Central ID

  • PMC8361091

Electronic International Standard Serial Number (EISSN)

  • 2052-4463

International Standard Serial Number (ISSN)

  • 2052-4463

Digital Object Identifier (DOI)

  • 10.1038/s41597-021-00974-z


  • eng