Published July 8, 2021 | Version 1.1.0
Standard Open

The OPTIMADE Specification

  • 1. EPFL
  • 2. Linköping University
  • 3. University of Cambridge
  • 4. Lawrence Berkeley National Laboratory
  • 5. University of Cambridge, UCLouvain
  • 6. UCLouvain
  • 7. Northwestern University
  • 8. Vilnius University Institute of Biotechnology
  • 9. Fritz Haber Institute
  • 10. University of Birmingham
  • 11. Duke University
  • 12. Fritz Haber Institute; Humboldt University of Berlin


The Open Databases Integration for Materials Design (OPTIMADE) consortium aims to make materials databases interoperational by developing a common REST API.

This repository contains the specification of the OPTIMADE API.

The subdirectory schemas/ contains OpenAPI schemas for the main OPTIMADE API and index meta-database as implemented by the optimade-python-tools repository. Note: These schemas are an approximation of the full human-readable specification and may be missing certain constraints. Furthermore, they may not be up to date in the develop branch of this repository.


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Related works

Is described by
Journal article: 10.1038/s41597-021-00974-z (DOI)