{
  "abstract": "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 exact-neutral enumeration over common and known nonzero oxidation states. The learned prior assigns 106,053 materials in composition mode and 114,403 in Wyckoff mode, compared with a broad MP all-integer possible species count of 108,642. A matched MP baseline requiring at least one charge-neutral assignment with exactly one nonzero integer oxidation state per element contains 89,374 materials; relative to this baseline, composition and Wyckoff modes increase coverage by 18.7% and 28.0%. Of the 14,665 materials recovered only in Wyckoff mode, 99.98% exhibit distinct formal oxidation states for the same element on different site tokens. The CSV/Python workflow provides a reproducible prior for structure decoration, generative crystal models, and symbolic Wyckoff-grammar workflows.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2608.28492",
  "author_total": 1,
  "authors": [
    {
      "name": "Boris Kiefer"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/ens9y49ga23zt.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2608.28492",
  "fulltext_url": null,
  "id": "ens9y49ga23zt",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2608.28492",
  "language": null,
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "http://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "cond-mat.mtrl-sci"
    ],
    [
      "openalex",
      "2505|Machine Learning in Materials Science"
    ]
  ],
  "openalex": "W7204759293",
  "pdf_url": "https://arxiv.org/pdf/2608.28492",
  "pmcid": null,
  "pmid": null,
  "published": "2026-08-28",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/ens9y49ga23zt.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:22Z",
      "native_id": "2608.28492",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2608.28492"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Wyckoff-Resolved Oxidation-State Atlas and Anion-Conditioned Priors for Materials Discovery",
  "title_text": "Wyckoff-Resolved Oxidation-State Atlas and Anion-Conditioned Priors for Materials Discovery",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:22Z",
  "url": "https://research.draconitic.com/paper/ens9y49ga23zt",
  "venue": "arXiv",
  "versions": []
}