Skip to main content
zenodoopen

Data for "Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size"

<p>This record contains <a href="https://wiki.fysik.dtu.dk/ase/ase/db/db.html">ASE databases</a> in sqlite format that contain the minimum energy structures of nanoparticles of Ag, Au, Cu, and Pd as determined in the paper &quot;<em>Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size</em>&quot;, Rahm and Erhart, Nano Letters <strong>17</strong>, 5775 (2017); <a href="http://doi.org/10.1021/acs.nanolett.7b02761">doi: 10.1021/acs.nanolett.7b02761</a></p> <p>The <code>access-database.py</code> script included in this record demonstrates how to access the databases. It requires the <a href="https://wiki.fysik.dtu.dk/ase/">ASE package</a> to be installed.</p>

ShareScore

40/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
20
Reuse readiness
8
Engagement
4