Aqueous ion reference data for Pourbaix diagrams


#1

This is a re-post of a discussion on the pymatgen forum.

I’m a physics and chemistry teacher trying to use pymatgen to draw Pourbaix Diagrams. Where can I find the ion energies needed according to http://pymatgen.org/_static/Plotting%20a%20Pourbaix%20Diagram.html ?

You can now get MP’s reference energies via the

https://www.materialsproject.org/rest/v2/pourbaix_diagram/reference_data/{chemsys}

endpoint, which is accessible via pymatgen.MPRester, e.g.

from pymatgen import MPRester
mpr = MPRester()
mpr._make_request('/pourbaix_diagram/reference_data/Fe-Cr') 

will fetch all reference data for the Fe-Cr chemical system.


Pourbaix diagrams