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mpds-client's Introduction

MPDS platform Python API client

DOI PyPI FOSSA Status

This Python library takes care of many aspects of the MPDS platform API, such as pagination, error handling, validation, proper data extraction and more. We encourage our users to adopt this library for their needs. This library follows the standardization guideline on data mining for materials science from LBNL, Berkeley, USA. Please, see the developer docs. To start using the MPDS platform API, login at the MPDS via GitHub.

MPDS API for Python

License

FOSSA Status

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mpds-client's Issues

*Fields* vs. *columns* usage can be misleading

client.get_dataframe({"classes": "binary", "years": "2010-2020"}, fields={'S':["phase_id", "entry", "chemical_formula", "superconducting_transition_temperature"]})

leads to

construction.py:985, in _finalize_columns_and_data(content, columns, dtype) 982 columns = _validate_or_indexify_columns(contents, columns) 983 except AssertionError as err: 984 # GH#26429 do not raise user-facing AssertionError --> 985 raise ValueError(err) from err 987 if len(contents) and contents[0].dtype == np.object_: 988 contents = _convert_object_array(contents, dtype=dtype) ValueError: 7 columns passed, passed data had 4 columns

reported by @ltalirz

formula and compiled structure does not match

Hi, I found a weird bug when using MPDSDataRetrieval to query structures.
When I use mpds.get_data for this entry

[227,
 'S1002002',
 'LiNbO3',
 [5.2727, 5.2727, 13.8509, 90.0, 90.0, 120.0],
 167,
 [[0.3909, 0.0, 0.25], [0.0, 0.0, 0.214], [0.0, 0.0, 0.0]],
 ['O', 'Li', 'Nb']]

MPDSDataRetrieval().compile_crystal(d[-4:],flavor='pmg') generated structure is Li2NbO3. It does not match the formula of LiNbO3. I wonder which one is correct and if there is something that needs to be fixed.

Thanks in advance!

Initial Update

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Once you have closed it, the bot will open pull requests for updates as soon as they are available.

httplib.ResponseNotReady

Sometimes very unexpectedly appears in my Cygwin environment. Can be solved by a PC restart. Investigating.

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