Science & ResearchAug 28, 2026
Wyckoff-Resolved Oxidation-State Atlas and Anion-Conditioned Priors for Materials Discovery
We introduce a Wyckoff-resolved oxidation-state atlas and assignment utility for probabilityranked, charge-neutral assignment from compositions or Wyckoff grammars.
We introduce a Wyckoff-resolved oxidation-state atlas and assignment utility for probabilityranked, charge-neutral assignment from compositions or Wyckoff grammars. The atlas is constructed from a May 2026 snapshot of 154,879 Materials Project-derived structures by staged…
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