Data for "Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size"
This record contains ASE databases in sqlite format that contain the minimum energy structures of nanoparticles of Ag, Au, Cu, and Pd as determined in the paper "Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size", Rahm and Erhart, Nano Letters 17, 5775 (2017); doi: 10.1021/acs.nanolett.7b02761 The access-database.py script included in this record demonstrates how to access the databases. It requires the ASE package to be installed.
Nanoparticles
Wulff construction
Atomic scale simulations
Landing page for the dataset
Landningssida för datasetet
Chalmers University of Technology
Chalmers tekniska högskola