Data for "Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size"
https://doi.org/10.5281/zenodo.8043878
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.pyOpens in a new tab script included in this record demonstrates how to access the databases. It requires the ASE package to be installed.
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Opens in a new tabhttps://doi.org/10.5281/zenodo.8043878
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