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Cluster expansions in icet format for direct download

<p>This record contains cluster expansions (CEs) in <a href="https://icet.materialsmodeling.org/">icet</a> format from the following three publications</p> <ul> <li><em>High-Throughput Characterization of Transition Metal Dichalcogenide Alloys: Thermodynamic Stability and Electronic Band Alignment</em>, <a href="10.1021/acs.chemmater.2c01176">DOI:10.1021/acs.chemmater.2c01176</a></li> <li><em>Hydrogen-Driven Surface Segregation in Pd Alloys from Atomic-Scale Simulations</em>, <a href="https://doi.org/10.1021/acs.jpcc.1c00575">DOI: 10.1021/acs.jpcc.1c00575</a></li> <li><em>To Every Rule There is an Exception: A Rational Extension of Loewenstein&#39;s Rule</em> ,<a href="https://doi.org/10.1002/anie.202013256">DOI: 10.1002/anie.202013256</a></li> </ul> <p>They are compiled here to enable easy access via, e.g., <code>curl</code> or <code>wget</code>.</p>

ShareScore

40/100

Overall dataset sharing score

Score breakdown

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

Stewardship
8
Harmonization
4
Access
16
Reuse readiness
8
Engagement
4

Topics