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

This is a dataset related to the publication "Origins of structural and electronic transitions in disordered silicon" (Nature 2021, 589, 59–64). The paper is available online here: https://doi.org/10.1038/s41586-020-03072-z.

Three separate .tar.gz archive files are provided:

  • "coordinates": structural data in (extended) XYZ format including atomic information
  • "ML_DOS_data": original data for the electronic DOS analysis (Fig. 3)
  • "other_potentials": tests with further ML potential models (as described in the Methods section)
Files (379.8 MB)
Name Size
aSi_100k_coordinates.tar.gz
md5:ad26b3d083dbcde636b585e679ac0525
173.0 MB Download
aSi_100k_ML_DOS_data.tar.gz
md5:ba78798bf2f072203fe49dd3429eaa45
28.1 MB Download
aSi_100k_other_potentials.tar.gz
md5:1e680bbcb355e84ef8716cbcbe15f983
178.7 MB Download
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