{
  "abstract": "High pressure can activate Cs $5p$ core electrons for covalent bonding. In this study, we investigate the Cs-Ba-O system at 150 and 250 GPa using first-principles structure searches. CsBa$_3$O$_8$ and CsBaO$_4$ both lie on the static-lattice convex hull at 250~GPa and exhibit mild Cs $5p$-O $2p$ bonding while retaining O$_2$ units with intermediate superoxide-peroxide character. Cs$_2$BaO$_3$ shows substantially stronger bonding but remains metastable with respect to CsO and BaO. A 1:1 Cs$_2$O-BaO$_2$ mixture provides a solid starting composition for investigating this chemistry, with core-reactive CsO among the predicted products at 250~GPa. Calculated Cs $L_3$-edge x-ray absorption near-edge spectra and powder diffraction patterns provide electronic and structural signatures to guide identification of the predicted phases in diamond anvil cell experiments.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2611.06009",
  "author_total": 5,
  "authors": [
    {
      "name": "Samantha Ellis"
    },
    {
      "name": "Austin Ellis"
    },
    {
      "name": "Lansen Wyke"
    },
    {
      "name": "Christina Taylor"
    },
    {
      "name": "Maosheng Miao"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/669vtvchem0n7.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2611.06009",
  "fulltext_url": null,
  "id": "669vtvchem0n7",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2611.06009",
  "language": null,
  "licence": "LicenseRef-arXiv-nonexclusive-1.0",
  "licence_label": "arXiv licence",
  "licence_source": "article",
  "licence_url": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "cond-mat.mtrl-sci"
    ]
  ],
  "openalex": null,
  "pdf_url": "https://arxiv.org/pdf/2611.06009",
  "pmcid": null,
  "pmid": null,
  "published": "2026-11-04",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/669vtvchem0n7.ris",
  "sources": [
    {
      "first_seen": "2026-11-05T15:20:56Z",
      "native_id": "2611.06009",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2611.06009"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Core Reactivity in Cs-Ba-O ternary system under pressure",
  "title_text": "Core Reactivity in Cs-Ba-O ternary system under pressure",
  "type": "preprint",
  "updated_at": "2026-11-09T00:20:19Z",
  "url": "https://research.draconitic.com/paper/669vtvchem0n7",
  "venue": "arXiv",
  "versions": []
}