OPTIMADE: An API for Exchanging Materials Data

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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Document Details

Document Type
Technical Report
Publication Date
Mar 02, 2021
Accession Number
AD1148814

Entities

People

  • Abhijith Gopakumar
  • Adam Fekete
  • Andrius Merkys
  • Casper W. Andersen
  • Corey Oses
  • Cormac Toher
  • Evgeny Blokhin
  • Fawzi Mohamed
  • Frisco Rose
  • Gareth J. Conduit
  • Gian-Marco Rignanese
  • Giovanni Pizzi
  • Marco Esters
  • Markus Scheidgen
  • Matthew L Evans
  • Pauline Colinet
  • Rickard Armiento
  • Saulius Grazulis
  • Shyam S Dwaraknath
  • Stefano Curtarolo

Organizations

  • Duke University

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Advanced Materials
  • Biological Sciences
  • Chemical Compounds
  • Computational Science
  • Computer Science
  • Crystal Structure
  • Crystallography
  • Data Science
  • Engineered Materials
  • Engineering
  • European Union
  • Machine Learning
  • Materials
  • Materials Engineering
  • Materials Science
  • Molecular Dynamics
  • Physics
  • Simulations
  • United Kingdom

Readers

  • Enterprise Information Systems Architecture and Joint Command Capability Interoperability Support.
  • Geospatial Intelligence and Artificial Intelligence Analytics
  • Systems Analysis and Design