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Cluster expansions in icet format for direct download

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Zenodo2023-05-08 更新2026-05-26 收录
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This record contains cluster expansions (CEs) in icet format from the following three publications <em>High-Throughput Characterization of Transition Metal Dichalcogenide Alloys: Thermodynamic Stability and Electronic Band Alignment</em>, DOI:10.1021/acs.chemmater.2c01176 <em>Hydrogen-Driven Surface Segregation in Pd Alloys from Atomic-Scale Simulations</em>, DOI: 10.1021/acs.jpcc.1c00575 <em>To Every Rule There is an Exception: A Rational Extension of Loewenstein's Rule</em> ,DOI: 10.1002/anie.202013256 They are compiled here to enable easy access via, e.g., <code>curl</code> or <code>wget</code>.

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Zenodo
创建时间:
2023-05-08
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