Bugfix for Interstitial Oxidation States #208
Merged
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The current code for getting
Interstitialoxidation states takes the first two possibilities inElement.icsd_oxidation_states. However these are not ordered by probability, and so for e.g. Sn this ends up giving +3 for the interstitial oxidation state (rather than +4 or +2 which are more reasonable).This fix updates to preferentially use
Element.common_oxidation_states(as used inSubstitutionoxi state guessing).