Processing...

Germanium Nanoparticle Structure Set

Tools Click here to view this collection in the new DAP user interface

show summary fields  |   show all    
Tools



About this Collection

Germanium Nanoparticle Structure Set


This is a set of 303 germanium nanoparticle INITIAL CONFIGURATIONS, for use in computational studies. These structures have not been optimized or relaxed. Sizes range from 29 Ge atoms to 2922 Ge atoms, with all surfaces terminated with H atoms. For clean structures, simply delete the H atoms from the files. All files are in XYZ format, and the nam... more


Condensed Matter Modelling and Density Functional Theory Nanotechnology not elsewhere classified Theoretical and Computational Chemistry not elsewhere classified


https://doi.org/10.4225/08/546A9FB866B37


01 Sep 2003


01 Sep 2014


CSIRO Enquiries
CSIROEnquiries@csiro.au
1300 363 400

germanium nanoparticle coordinates structure .xyz


structure_descriptions.csv


structure_descriptions.xlsx


Hugh F. Wilson and Amanda S. Barnard


CSIRO Data Licence


CSIRO (Australia)


Barnard, Amanda; Wilson, Hugh (2014): Germanium Nanoparticle Structure Set. v1. CSIRO. Data Collection. https://doi.org/10.4225/08/546A9FB866B37


All Rights (including copyright) CSIRO Australia 2014.


The metadata and files (if any) are available to the public.

show all

About this Project

OCE Science Leader - Amanda Barnard


OCE Science Leader project - Statistical Nanoscience


Amanda Barnard


Nanostructure Data Bank


A repository for sets of initial configurations (structure sets) and fully relaxed and reconstructed nanostructures (data sets), with properties calculated with electronic structure methods.


Calculation


High performance supercomputer.


Amanda Barnard


Hugh Wilson


Similar collections

  • Diamond Nanoparticle Structure Set....
    view
  • Silicon Nanoparticle Structure Set....
    view
  • Silver Nanoparticle Structure Set....
    view
  • Silver Nanoparticle Data Set....
    view