PourbaixDiagram.get_stable_entry() not consistent with input composition

Materials Project Materials Project Data/API
1

I’m trying to retrieve the decomposed species at a given pH and potential however the results from PourbaixDiagram.get_stable_entry() and .get_decomposition_energy() don’t agree with the online pourbaix diagram. I’ve put together an example notebook.

Perhaps this issue is specific to the particular material_id I’m looking at, but I’m also wondering if I did something wrong in setting up the PourbaixDiagram object.

2

Hi Guevarra, thanks for the tip,

This looks like the same issue we addressed last week in the Bi-V system. I used the latest master from github (pip install git+https://github.com/materialsproject/pymatgen)
and it seems to fix the issue. Can you confirm?

3

Yes, the latest code appears to fix the issue. Thanks Joey!