Cluster expansions in icet format for direct download
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https://zenodo.org/record/7908394
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This record contains cluster expansions (CEs) in icet format from the following three publications
High-Throughput Characterization of Transition Metal Dichalcogenide Alloys: Thermodynamic Stability and Electronic Band Alignment, DOI:10.1021/acs.chemmater.2c01176
Hydrogen-Driven Surface Segregation in Pd Alloys from Atomic-Scale Simulations, DOI: 10.1021/acs.jpcc.1c00575
To Every Rule There is an Exception: A Rational Extension of Loewenstein's Rule ,DOI: 10.1002/anie.202013256
They are compiled here to enable easy access via, e.g., curl or wget.
创建时间：
2023-05-09
