Hi all,
I am teaching an Integrated Computational Materials Science summer school where we are doing a Jupyter notebook on Pymatgen. This is being hosted at the University of Michigan.
Last Thursday, we ran our code as a class and it worked well. Today we are running the same code, without changing anything, and about 70% of the class cannot run the MP Query. We are getting a 403 error. This is using the Legacy MP API. Can someone help us investigate?
Here is the example code:
from pymatgen.ext.matproj import MPRester
MPR = MPRester(your_API_key)
criteria = {‘elements’:{“$in”:[“Li”, “Na”, “K”], “$all”: [“O”]}, # All compounds contain O, and must have Li or Na or K
‘nelements’:3, # Each compound should be ternary (3 elements in the composition)
‘anonymous_formula’: {“A”: 1, “B”: 1, “C”: 3}, # Each compound should have stoichiometry matching ABC3 stoichiometry (Perovskite li)
‘icsd_ids’: {‘$gte’: 0}, # Must have a non-zero ICSD ID (no hypothetical compounds)
‘e_above_hull’: {‘$lte’: 0.01}, # Energy of metastability below 10 meV/atom.
“band_gap”: {“$gt”: 1} # DFT-calculated Band Gap is greater than 1
}# The properties and the criteria use MaterialsProject features # You can see what is queryable from the MP API documentation: # https://github.com/materialsproject/mapidoc/tree/master/materials # The criteria uses mongodb query language. See here # for more details: https://docs.mongodb.com/manual/reference/operator/query/props = [“material_id”,‘pretty_formula’,‘e_above_hull’,“band_gap”,‘structure’, ‘band_structure’]
entries = MPR.query(criteria=criteria, properties=props)
print(len(entries))
for e in entries:
print(e[‘pretty_formula’],e[‘band_gap’])
#print(e)
Here is our error output:
MPRestError Traceback (most recent call last)
File ~\anaconda3\lib\site-packages\pymatgen\ext\matproj.py:253, in MPRester._make_request(self, sub_url, payload, method, mp_decode)
251 raise MPRestError(data[“error”])
→ 253 raise MPRestError(f"REST query returned with error status code {response.status_code}")
255 except Exception as ex:MPRestError: REST query returned with error status code 403
During handling of the above exception, another exception occurred:
MPRestError Traceback (most recent call last)
Input In [3], in <cell line: 44>()
40 json.dump(new_entries, f)
41 return entries
—> 44 entries=get_bs_entries()
46 print(len(entries))Input In [3], in get_bs_entries()
24 props = [‘structure’, “material_id”,‘pretty_formula’,‘e_above_hull’,“warnings”,“band_gap”,“band_structure”]
25 #The properties and the criteria use MaterialsProject features
26 #You can see what is queryable from the MP API documentation: mapidoc/materials at master · materialsproject/mapidoc · GitHub
—> 28 entries = MPR.query(criteria=criteria, properties=props)
29 print(len(entries))
31 #Save files are prepared in a ‘JSON’ file.
32 #Some MP objects are not JSONable, and so they must be turned into a dictionary before they can be saved.File ~\anaconda3\lib\site-packages\pymatgen\ext\matproj.py:994, in MPRester.query(self, criteria, properties, chunk_size, max_tries_per_chunk, mp_decode)
992 count_payload = payload.copy()
993 count_payload[“options”] = json.dumps({“count_only”: True})
→ 994 num_results = self._make_request(“/query”, payload=count_payload, method=“POST”)
995 if num_results <= chunk_size:
996 return self._make_request(“/query”, payload=payload, method=“POST”, mp_decode=mp_decode)File ~\anaconda3\lib\site-packages\pymatgen\ext\matproj.py:257, in MPRester._make_request(self, sub_url, payload, method, mp_decode)
255 except Exception as ex:
256 msg = f"{str(ex)}. Content: {response.content}" if hasattr(response, “content”) else str(ex)
→ 257 raise MPRestError(msg)MPRestError: REST query returned with error status code 403. Content: b’{“valid_response”: false, “error”: “Invalid request method.”, “version”: {“db”: “2020_09_08”, “pymatgen”: “2022.0.8”, “rest”: “2.0”}, “created_at”: “2023-06-19T11:59:37.467667”}’
We are working on providing more of our raw output data and intermediate build products to our users. Please look out for announcements in the near future through our newsletter or the notifications system on our website.