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Research data . Dataset . 2021

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; +1 Authors
Open Access  
Published: 06 Jan 2021
Publisher: Zenodo
Abstract
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)