Published May 8, 2023
| Version v1
Dataset
Open
Cluster expansions in icet format for direct download
Authors/Creators
- 1. Chalmers University of Technology, Department of Physics, Gothenburg, Sweden
- 2. Chalmers University of Technology, Gothenburg, Sweden
- 3. Department of Physics, Chalmers University of Technology, Gothenburg, Sweden
Description
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.
Files
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