Dataset: Diamond Nanoparticle Structure Set


This is a set of diamond nanoparticle INITIAL CONFIGURATIONS, for use in computational studies. These structures have not been optimized or relaxed. Sizes range from 35 atoms to 6107 atoms. All files are in XYZ format, and the naming convention is C[number of carbon atoms].xyz . A spreadsheet is provided with descriptions of the geometric shape, average C-C coordination number, and spherically averaged hydrostatic diameter.

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

General Information