diff --git a/pymatgen/analysis/defects/core.py b/pymatgen/analysis/defects/core.py index 1db501d9..1d8ff104 100644 --- a/pymatgen/analysis/defects/core.py +++ b/pymatgen/analysis/defects/core.py @@ -711,12 +711,12 @@ def defect_structure(self) -> Structure: inter_states = self.site.specie.common_oxidation_states if len(inter_states) == 0: _logger.warning( - "No oxidation states found for %s. " + "No oxidation states found for %s " "in ICSD using `oxidation_states` without frequency ranking.", self.site.specie.symbol, ) inter_states = self.site.specie.oxidation_states - inter_oxi = max(inter_states, key=abs) + inter_oxi = max((*inter_states, 0), key=abs) int_specie = Species(self.site.specie.symbol, inter_oxi) struct.insert( 0,