Apps

HTTP Request to the Apps backend can be made in Python using e.g. the requests library for GET requests, like so:

#!/usr/bin/env python

import json
import pprint

import requests

url = 'http://api.catalysis-hub.org/apps/prototypeSearch/facet_search/'
r = requests.get(url,
                  params={
                      'search_terms': [
                          'hollandite',
                      ],
                      'facet_filters': '["spacegroup:87"]'
                  }
                  )
pprint.pprint(json.loads(r.content))

or for POST requests, like so:

#!/usr/bin/env python

import json
import pprint

import requests

url = 'http://api.catalysis-hub.org/apps/prototypeSearch/get_structure/'

r = requests.post(url,
    json={
        'parameters': '[3.1]',
        'species': '["S"]',
        'spacegroup': 221,
        })
pprint.pprint(json.loads(r.content))

That is, every function below that is declared either as a GET or a POST request can be translated into a corresponding HTTP request by replacing every dot (‘.’) with a slash (‘/’) and passing in arguments either as params=… (GET) or json=… (POST) .

Please refer to the following API documentation for details.

ActivityMaps

AtoMl

Bulk Enumerator

CatKitDemo

Pourbaix diagrams

Utilities