Ni Pourbaix Diagrams Inconsistent with Literature

[glitterguy]

Hi there, I’m trying to generate Pourbaix diagrams for Ni and other metals with PourbaixDiagram methods in pymatgen. However, the generated Ni Pourbaix diagrams are inconsistent with those in the literature. For example, the Ni Pourbaix diagrams from Wang et al and Huang et al indicate a stability region for NiO2. The Pourbaix diagram generated on the web app or using the pymatgen method does not show the region for NiO2. Is there anything that I am missing? Is there any way to indicate the formation energy of materials showing up in a Pourbaix diagram?

I appreciate any inputs. Thanks!

[glitterguy]

I figured it out.

The NiO2 domain would show up if ‘filter_solids’ = False: pbx = PourbaixDiagram(pourbaix_entries, filter_solids=False)

Since NiO2 would be stable under electrochemical conditions, this setting ‘filter_solids’ = True will only include the compositional stable phases.