Data for "Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size"
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https://zenodo.org/record/8043877
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资源简介：
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.
创建时间：
2023-06-16
