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Use reference solids to construct the ion reference phase diagram (#533)
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mkhorton committed Feb 18, 2022
1 parent 7ce7c4c commit d4bce7b
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/mp_api/client.py
Original file line number Diff line number Diff line change
Expand Up @@ -490,7 +490,7 @@ def get_pourbaix_entries(
ion_data = self.get_ion_reference_data_for_chemsys(chemsys)

# build the PhaseDiagram for get_ion_entries
ion_ref_comps = [Ion.from_formula(d["formula"]).composition for d in ion_data]
ion_ref_comps = [Ion.from_formula(d["data"]["RefSolid"]).composition for d in ion_data]
ion_ref_elts = list(
itertools.chain.from_iterable(i.elements for i in ion_ref_comps)
)
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