Germanium Nanoparticle Structure Set

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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

01 Sep 2003

01 Sep 2014

CSIRO Enquiries
1300 363 400

germanium nanoparticle coordinates structure .xyz



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.

All Rights (including copyright) CSIRO Australia 2014.

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

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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.


High performance supercomputer.

Amanda Barnard

Hugh Wilson

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