I queried a lot of structures from MP on the 27 Apr 2021 for my PhD research. As part of my validation to ensure my calculations I am running were using compatible endpoints I wanted to check that I reproduced the data table e_form property released on the website/via the API. Looking at the energies carefully for 3222 there is a discrepancy between the values I get applying MaterialsProjectCompatibility to the queried ComputedStructureEntries and the value for e_form from the API.
Is it related to this fix fix anion correction when S and O are both anions · materialsproject/[email protected] · GitHub / does the database build run on an older version of pymatgen?
I have attached a csv of the ids, compositions, mp_e_f and e_f I calculate.
mismatch_e_f.csv (41.6 KB)