For some reason when iterating over the elements and hit Y or I in formation_energy_mixer.ipynb and try to access the binary oxide data dictionary saved in data_gather/binary_pairing_data.ipynb we get back that the concentration of Y or I is 0, and get the formation energy data for a Yb or Ir oxide. Seemingly some issue with keys/values being overwritten but have not figured out how.
This erroneous labelling leads to errors (since the elements are being matched incorrectly), so at the moment am handling it by simply not considering Y or I-containing oxides, leaving about 10 or so entries out.
For some reason when iterating over the elements and hit Y or I in
formation_energy_mixer.ipynband try to access the binary oxide data dictionary saved indata_gather/binary_pairing_data.ipynbwe get back that the concentration of Y or I is 0, and get the formation energy data for a Yb or Ir oxide. Seemingly some issue with keys/values being overwritten but have not figured out how.This erroneous labelling leads to errors (since the elements are being matched incorrectly), so at the moment am handling it by simply not considering Y or I-containing oxides, leaving about 10 or so entries out.