Accessing catalyst explorer using MPRester

Materials Project
,
1

Hi,
Is there any way to access catalyst explorer database using MPRester api?
I am looking for adsorption energy of some materials, which is available in catalysis explorer and not in the materials explorer.

2

Please see my reply at Get data from the Catalysis Explorer - #2 by tschaume as well as our docs Query and Download Contributed Data - Materials Project Documentation. HTH

3

Hi @tschaume,
Thanks for my reply. I am trying this:

from mpcontribs.client import Client
client = Client(apikey="API_KEY",
                project="open_catalyst_project")
#  print(client.available_query_params())
query = {"formula__contains": "Fe"}
fields = ["id", "identifier", "formula", "data.mpid", "data.adsorptionEnergy"]
docs = client.query_contributions(query=query, fields=fields, paginate=False)
#  print(docs)
for doc in docs:
  print((doc))
df = pd.DataFrame.from_records(docs)

However, this is making the data field a string, not a dict. So, I cant retrive any data from there. Any idea?

4

try this

pd.json_normalize(docs["data"])