The server does not support the request made to https://api.materialsproject.org/materials/thermo/?_fields=entries%2Cthermo_type&formula=e_above_hull&_limit=1000

kalvdans commented 2 months ago

Code snippet

mpr.get_entries({"e_above_hull": {"$lte": 0.001}}, compatible_only=True)

What happened?

I'm porting some old code to the new API, but ended up on an error from within mp_api.

Version

mp-api 0.41.2

Which OS?

[ ] MacOS
[ ] Windows
[X] Linux

Log output

/home/chn/env/lib/python3.12/site-packages/mp_api/client/core/client.py:993: UserWarning: The server does not support the request made to https://api.materialsproject.org/materials/thermo/?_fields=entries%2Cthermo_type&formula=e_above_hull&_limit=1000. This may be due to an outdated mp-api package, or a problem with the query.
  warnings.warn(
Traceback (most recent call last):
  File "/home/chn/orexplore/git/earthcrust-simulator/presentation.py", line 274, in <module>
    entries, orex_explanation = common_prologue()
                                ^^^^^^^^^^^^^^^^^
  File "/home/chn/orexplore/git/earthcrust-simulator/presentation.py", line 218, in common_prologue
    entries = mpr.get_entries({"e_above_hull": {"$lte": 0.001}}, compatible_only=True)
              ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/chn/orexplore/git/earthcrust-simulator/mygetter.py", line 20, in wrapper
    ret = real_method(*args, **kwords)
          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/chn/env/lib/python3.12/site-packages/mp_api/client/mprester.py", line 738, in get_entries
    docs = self.thermo.search(
           ^^^^^^^^^^^^^^^^^^^
  File "/home/chn/env/lib/python3.12/site-packages/mp_api/client/routes/materials/thermo.py", line 136, in search
    return super()._search(
           ^^^^^^^^^^^^^^^^
  File "/home/chn/env/lib/python3.12/site-packages/mp_api/client/core/client.py", line 1181, in _search
    return self._get_all_documents(
           ^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/chn/env/lib/python3.12/site-packages/mp_api/client/core/client.py", line 1254, in _get_all_documents
    results = self._query_resource(
              ^^^^^^^^^^^^^^^^^^^^^
  File "/home/chn/env/lib/python3.12/site-packages/mp_api/client/core/client.py", line 565, in _query_resource
    data = self._submit_requests(
           ^^^^^^^^^^^^^^^^^^^^^^
  File "/home/chn/env/lib/python3.12/site-packages/mp_api/client/core/client.py", line 712, in _submit_requests
    initial_data_tuples = self._multi_thread(
                          ^^^^^^^^^^^^^^^^^^^
  File "/home/chn/env/lib/python3.12/site-packages/mp_api/client/core/client.py", line 934, in _multi_thread
    data, subtotal = future.result()
                     ^^^^^^^^^^^^^^^
  File "/usr/lib/python3.12/concurrent/futures/_base.py", line 449, in result
    return self.__get_result()
           ^^^^^^^^^^^^^^^^^^^
  File "/usr/lib/python3.12/concurrent/futures/_base.py", line 401, in __get_result
    raise self._exception
  File "/usr/lib/python3.12/concurrent/futures/thread.py", line 58, in run
    result = self.fn(*self.args, **self.kwargs)
             ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/chn/env/lib/python3.12/site-packages/mp_api/client/core/client.py", line 1027, in _submit_request_and_process
    raise MPRestError(
mp_api.client.core.client.MPRestError: REST query returned with error status code 400 on URL https://api.materialsproject.org/materials/thermo/?_fields=entries%2Cthermo_type&formula=e_above_hull&_limit=1000 with message:
Problem processing one or more provided formulas.

munrojm commented 1 month ago

You will have to add a list of chemical systems, formulas, or mpids, and pass the energy above hull query as additional criteria:

data = mpr.get_entries(chemsys_formula_mpids=["Si-O"], 
                    additional_criteria={"energy_above_hull": (None, 0.001)}, 
                    compatible_only=True)

kalvdans commented 1 month ago

Thanks @munrojm, that works! It's only the error message that is misleading then.

What to pass as chemsys_formula_mpids to get all materials on the convext hull? (i.e. a system constisting of all elements)

materialsproject / api