Various oxidation states of ion in structure predictor

Is it possible to generate possible structures of compounds containing ions of the same element at various oxidatin states, e.g., Ti3+ and Ti4+?

Hi Leszek,

In the structure predictor app, after selecting an element, all of the available oxidation states should be displayed beneath the element below the periodic table interface. If you’re asking whether or not multiple oxidation states can be selected for the same structure prediction (e. g. either of Ti3+ or Ti4+), I believe the answer is currently no, but we might be able to look into providing this functionality in the future.

Hi Joseph,

Thank you for the answer. I believe that such option would be useful for mixed valence compounds containing ions (e.g Ti3+ and Ti4+ or Ce3+ and Ce4+) at various crystallographic sites.

Best wishes,