{
  "abstract": "Quaternary mixed-metal chalcohalides (MMCHs) are a promising mixed-anion semiconductor family, but their thermodynamic accessibility remains largely unexplored. We combine density functional theory with the Alexandria Materials Database to carry out a rapid and reliable evaluation of the thermodynamic accessibility of 54 M(II)$_2$M(III)Ch$_2$X$_3$ compounds. All evaluated MMCHs are predicted to be thermodynamically unstable, but a considerable fraction of MMCHs lie within computational uncertainty of the convex hull. Their predicted decomposition follows five distinct reaction pathways, most commonly into M(III)$_2$Ch$_3$, M(II)X$_2$, and M(II)Ch. Solution processing of six Sn-based MMCHs supports our analysis. Notably, this includes the first synthesis of the previously unreported Sn$_2$InS$_2$Br$_3$ in a multiphase film. Our approach identifies convex hull proximity and competing phase formation as key constraints on MMCH synthetic accessibility during solution processing, thereby guiding future MMCH exploration.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2609.38125",
  "author_total": 9,
  "authors": [
    {
      "name": "Pascal Henkel"
    },
    {
      "name": "G. Krishnamurthy Grandhi"
    },
    {
      "name": "Jarno Laakso"
    },
    {
      "name": "David Rovira Ferrer"
    },
    {
      "name": "Edgardo Saucedo"
    },
    {
      "name": "Jingrui Li"
    },
    {
      "name": "Paola Vivo"
    },
    {
      "name": "Miguel A. L. Marques"
    },
    {
      "name": "Patrick Rinke"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/5pkrfydy0asxe.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2609.38125",
  "fulltext_url": null,
  "id": "5pkrfydy0asxe",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2609.38125",
  "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",
      "2505|Machine Learning in Materials Science"
    ]
  ],
  "openalex": "W7214923641",
  "pdf_url": "https://arxiv.org/pdf/2609.38125",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-29",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/5pkrfydy0asxe.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:25:31Z",
      "native_id": "2609.38125",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2609.38125"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "How Thermodynamically Accessible are Quaternary Mixed-Metal Chalcohalides?",
  "title_text": "How Thermodynamically Accessible are Quaternary Mixed-Metal Chalcohalides?",
  "type": "preprint",
  "updated_at": "2026-10-30T12:25:31Z",
  "url": "https://research.draconitic.com/paper/5pkrfydy0asxe",
  "venue": "arXiv",
  "versions": []
}