Dataset Open Access

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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  <identifier identifierType="DOI">10.5281/zenodo.4174139</identifier>
  <creators>
    <creator>
      <creatorName>Volker L. Deringer</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-6873-0278</nameIdentifier>
      <affiliation>University of Oxford</affiliation>
    </creator>
    <creator>
      <creatorName>Noam Bernstein</creatorName>
      <affiliation>US Naval Research Laboratory</affiliation>
    </creator>
    <creator>
      <creatorName>Gábor Csányi</creatorName>
      <affiliation>University of Cambridge</affiliation>
    </creator>
    <creator>
      <creatorName>Chiheb Ben Mahmoud</creatorName>
      <affiliation>École Polytechnique Fédérale de Lausanne</affiliation>
    </creator>
    <creator>
      <creatorName>Michele Ceriotti</creatorName>
      <affiliation>École Polytechnique Fédérale de Lausanne</affiliation>
    </creator>
    <creator>
      <creatorName>Mark Wilson</creatorName>
      <affiliation>University of Oxford</affiliation>
    </creator>
    <creator>
      <creatorName>David A. Drabold</creatorName>
      <affiliation>Ohio University</affiliation>
    </creator>
    <creator>
      <creatorName>Stephen R. Elliott</creatorName>
      <affiliation>Trinity College, Cambridge</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Research data for "Origins of structural and electronic transitions in disordered silicon"</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2021</publicationYear>
  <dates>
    <date dateType="Issued">2021-01-06</date>
  </dates>
  <resourceType resourceTypeGeneral="Dataset"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/4174139</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.4174138</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 International</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;This is a dataset related to the publication &amp;quot;Origins of structural and electronic transitions in disordered silicon&amp;quot; (&lt;em&gt;Nature&lt;/em&gt; &lt;strong&gt;2021&lt;/strong&gt;, &lt;em&gt;589&lt;/em&gt;, 59&amp;ndash;64). The paper is available online here:&amp;nbsp;https://doi.org/10.1038/s41586-020-03072-z.&lt;/p&gt;

&lt;p&gt;Three separate .tar.gz archive files are provided:&lt;/p&gt;

&lt;ul&gt;
	&lt;li&gt;&amp;quot;coordinates&amp;quot;: structural data in (extended) XYZ format including atomic information&lt;/li&gt;
	&lt;li&gt;&amp;quot;ML_DOS_data&amp;quot;: original data for the electronic DOS analysis (Fig. 3)&lt;/li&gt;
	&lt;li&gt;&amp;quot;other_potentials&amp;quot;: tests with further ML potential models (as described in the Methods section)&lt;/li&gt;
&lt;/ul&gt;</description>
  </descriptions>
</resource>
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