Hi,
In pymatgen, using get_pourbaix_entries(chemsys=[“Al”]), some entries can be got. One entry is:
Pourbaix Entry : Al1 O4 H4 with energy = -3.8656, npH = -4.0, nPhi = -3.0, nH2O = 4.0, entry_id = ion-3
However, if checking entry.name, it shows ‘AlO2.2H2O[-1]’, which seems not consistent.
Does anyone know the reason and how to solve it? Thanks!