Data for "Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size"
Description
This record contains ASE databases (https://wiki.fysik.dtu.dk/ase/ase/db/db.html) 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 (http://doi.org/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 (https://wiki.fysik.dtu.dk/ase/) to be installed.
Resources
| Name |
Format |
Description |
Link |
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0 |
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http://data.europa.eu/88u/dataset/https-doi-org-10-5281-zenodo-8043878 |
Tags
- chalmers-university-of-technology