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Research data for "Origins of structural and electronic transitions in disordered silicon"

Volker L. Deringer; Noam Bernstein; Gábor Csányi; Chiheb Ben Mahmoud; Michele Ceriotti; Mark Wilson; David A. Drabold; Stephen R. Elliott


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{
  "description": "<p>This is a dataset related to the publication &quot;Origins of structural and electronic transitions in disordered silicon&quot; (<em>Nature</em> <strong>2021</strong>, <em>589</em>, 59&ndash;64). The paper is available online here:&nbsp;https://doi.org/10.1038/s41586-020-03072-z.</p>\n\n<p>Three separate .tar.gz archive files are provided:</p>\n\n<ul>\n\t<li>&quot;coordinates&quot;: structural data in (extended) XYZ format including atomic information</li>\n\t<li>&quot;ML_DOS_data&quot;: original data for the electronic DOS analysis (Fig. 3)</li>\n\t<li>&quot;other_potentials&quot;: tests with further ML potential models (as described in the Methods section)</li>\n</ul>", 
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "creator": [
    {
      "affiliation": "University of Oxford", 
      "@id": "https://orcid.org/0000-0001-6873-0278", 
      "@type": "Person", 
      "name": "Volker L. Deringer"
    }, 
    {
      "affiliation": "US Naval Research Laboratory", 
      "@type": "Person", 
      "name": "Noam Bernstein"
    }, 
    {
      "affiliation": "University of Cambridge", 
      "@type": "Person", 
      "name": "G\u00e1bor Cs\u00e1nyi"
    }, 
    {
      "affiliation": "\u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne", 
      "@type": "Person", 
      "name": "Chiheb Ben Mahmoud"
    }, 
    {
      "affiliation": "\u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne", 
      "@type": "Person", 
      "name": "Michele Ceriotti"
    }, 
    {
      "affiliation": "University of Oxford", 
      "@type": "Person", 
      "name": "Mark Wilson"
    }, 
    {
      "affiliation": "Ohio University", 
      "@type": "Person", 
      "name": "David A. Drabold"
    }, 
    {
      "affiliation": "Trinity College, Cambridge", 
      "@type": "Person", 
      "name": "Stephen R. Elliott"
    }
  ], 
  "url": "https://zenodo.org/record/4174139", 
  "datePublished": "2021-01-06", 
  "@context": "https://schema.org/", 
  "distribution": [
    {
      "contentUrl": "https://zenodo.org/api/files/6dea8ba5-c195-4963-83e3-88bf041fd691/aSi_100k_coordinates.tar.gz", 
      "encodingFormat": "gz", 
      "@type": "DataDownload"
    }, 
    {
      "contentUrl": "https://zenodo.org/api/files/6dea8ba5-c195-4963-83e3-88bf041fd691/aSi_100k_ML_DOS_data.tar.gz", 
      "encodingFormat": "gz", 
      "@type": "DataDownload"
    }, 
    {
      "contentUrl": "https://zenodo.org/api/files/6dea8ba5-c195-4963-83e3-88bf041fd691/aSi_100k_other_potentials.tar.gz", 
      "encodingFormat": "gz", 
      "@type": "DataDownload"
    }
  ], 
  "identifier": "https://doi.org/10.5281/zenodo.4174139", 
  "@id": "https://doi.org/10.5281/zenodo.4174139", 
  "@type": "Dataset", 
  "name": "Research data for \"Origins of structural and electronic transitions in disordered silicon\""
}
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