Aqueous ion reference data for Pourbaix diagrams


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 ?

You can now get MP’s reference energies via the{chemsys}

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

from pymatgen import MPRester
mpr = MPRester()

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

Pourbaix diagrams