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


MARC21 XML Export

<?xml version='1.0' encoding='UTF-8'?>
<record xmlns="http://www.loc.gov/MARC21/slim">
  <leader>00000nmm##2200000uu#4500</leader>
  <controlfield tag="005">20210106170229.0</controlfield>
  <controlfield tag="001">4174139</controlfield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">US Naval Research Laboratory</subfield>
    <subfield code="a">Noam Bernstein</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">University of Cambridge</subfield>
    <subfield code="a">Gábor Csányi</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">École Polytechnique Fédérale de Lausanne</subfield>
    <subfield code="a">Chiheb Ben Mahmoud</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">École Polytechnique Fédérale de Lausanne</subfield>
    <subfield code="a">Michele Ceriotti</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">University of Oxford</subfield>
    <subfield code="a">Mark Wilson</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Ohio University</subfield>
    <subfield code="a">David A. Drabold</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="u">Trinity College, Cambridge</subfield>
    <subfield code="a">Stephen R. Elliott</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">172981482</subfield>
    <subfield code="z">md5:ad26b3d083dbcde636b585e679ac0525</subfield>
    <subfield code="u">https://zenodo.org/record/4174139/files/aSi_100k_coordinates.tar.gz</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">28118880</subfield>
    <subfield code="z">md5:ba78798bf2f072203fe49dd3429eaa45</subfield>
    <subfield code="u">https://zenodo.org/record/4174139/files/aSi_100k_ML_DOS_data.tar.gz</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="s">178742086</subfield>
    <subfield code="z">md5:1e680bbcb355e84ef8716cbcbe15f983</subfield>
    <subfield code="u">https://zenodo.org/record/4174139/files/aSi_100k_other_potentials.tar.gz</subfield>
  </datafield>
  <datafield tag="542" ind1=" " ind2=" ">
    <subfield code="l">open</subfield>
  </datafield>
  <datafield tag="260" ind1=" " ind2=" ">
    <subfield code="c">2021-01-06</subfield>
  </datafield>
  <datafield tag="909" ind1="C" ind2="O">
    <subfield code="p">openaire_data</subfield>
    <subfield code="o">oai:zenodo.org:4174139</subfield>
  </datafield>
  <datafield tag="100" ind1=" " ind2=" ">
    <subfield code="u">University of Oxford</subfield>
    <subfield code="0">(orcid)0000-0001-6873-0278</subfield>
    <subfield code="a">Volker L. Deringer</subfield>
  </datafield>
  <datafield tag="245" ind1=" " ind2=" ">
    <subfield code="a">Research data for "Origins of structural and electronic transitions in disordered silicon"</subfield>
  </datafield>
  <datafield tag="540" ind1=" " ind2=" ">
    <subfield code="u">https://creativecommons.org/licenses/by/4.0/legalcode</subfield>
    <subfield code="a">Creative Commons Attribution 4.0 International</subfield>
  </datafield>
  <datafield tag="650" ind1="1" ind2="7">
    <subfield code="a">cc-by</subfield>
    <subfield code="2">opendefinition.org</subfield>
  </datafield>
  <datafield tag="520" ind1=" " ind2=" ">
    <subfield code="a">&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;</subfield>
  </datafield>
  <datafield tag="773" ind1=" " ind2=" ">
    <subfield code="n">doi</subfield>
    <subfield code="i">isVersionOf</subfield>
    <subfield code="a">10.5281/zenodo.4174138</subfield>
  </datafield>
  <datafield tag="024" ind1=" " ind2=" ">
    <subfield code="a">10.5281/zenodo.4174139</subfield>
    <subfield code="2">doi</subfield>
  </datafield>
  <datafield tag="980" ind1=" " ind2=" ">
    <subfield code="a">dataset</subfield>
  </datafield>
</record>
579
326
views
downloads
All versions This version
Views 579579
Downloads 326326
Data volume 45.6 GB45.6 GB
Unique views 540540
Unique downloads 162162

Share

Cite as