Published June 23, 2025
| Version v1
Dataset
Open
Dataset related to article: Heat transport properties of PbTe_{1-x}Se_x alloys using equivariant graph neural network interatomic potential
Creators
- 1. Aalto University
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2.
VTT Technical Research Centre of Finland
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3.
Colorado School of Mines
Description
This repository contains the dataset to train and test the Machine Learning Interatomic Potential (MLIP) for PbTe_{1-x}Se_x alloys. The computational details are given in the manuscript.
Files
Files
(94.3 MB)
| Name | Size | Download all |
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md5:f902174e742a3108abff2b1b19c43419
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7.3 MB | Download |
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md5:346081a4b52acf76e8b84c581c01e427
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87.1 MB | Download |