Welcome to catalysis-hub.org’s documentation!

• Topics
  • Database schema
  • GraphQL Queries
  • GraphQL Cheat Sheet
• Submitting data
  • Installing CatHub
  • Organizing data
  • cathub organize
  • cathub make-folders
  • Reading into database
• Tutorials
  • Searching for reaction energies
  • GraphQL
    • A simple query
    • Searching for publications
    • Using the reactions table
    • Combining tables
  • Custom GraphQL clients
    • Calling the Backend from the Command Line
    • Calling the Backend from a Python Script
    • Calling the Backend from a Perl Script
    • Calling the Backend from JavaScript
    • Calling the Backend from Coffee Script
    • Connecting to the database server with psql
  • Connecting to the database with ASE db
  • Using the CatHub cli
  • IPython Notebook tutorials for API usage
    • GraphQL Querying
    • Retrieve ASE Atoms object through GraphQL
    • Prototype Search
    • Search Structures and Cut Slabs
    • Get Spacegroup and Wyckoff Sites from Structure
  • Partner Projects
• Reference
  • App
  • Apps
    • ActivityMaps
    • AtoMl
    • Bulk Enumerator
    • CatKitDemo
    • Pourbaix diagrams
    • Prototype Search
    • Utilities
  • GraphQL Reference
    • Query
    • Objects
      • Information
      • InformationCountableConnection
      • InformationCountableEdge
      • Key
      • KeyCountableConnection
      • KeyCountableEdge
      • NumberKeyValue
      • NumberKeyValueCountableConnection
      • NumberKeyValueCountableEdge
      • PageInfo
      • Publication
      • PublicationCountableConnection
      • PublicationCountableEdge
      • Reaction
      • ReactionCountableConnection
      • ReactionCountableEdge
      • ReactionSystem
      • ReactionSystemCountableConnection
      • ReactionSystemCountableEdge
      • Species
      • SpeciesCountableConnection
      • SpeciesCountableEdge
      • System
      • SystemCountableConnection
      • SystemCountableEdge
      • TextKeyValue
      • TextKeyValueCountableConnection
      • TextKeyValueCountableEdge
    • Scalars
      • Boolean
      • Float
      • ID
      • Int
      • JSONString
      • String
    • Interfaces
      • Node
• Troubleshooting

Indices and tables

• Index
• Module Index
• Search Page