Data for "Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size"
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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 "<em>Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size</em>", Rahm and Erhart, Nano Letters <strong>17</strong>, 5775 (2017); doi: 10.1021/acs.nanolett.7b02761 The <code>access-database.py</code> script included in this record demonstrates how to access the databases. It requires the ASE package to be installed.
创建时间:
2023-06-15



