Dataset related to article: Heat transport properties of PbTe_{1-x}Se_x alloys using equivariant graph neural network interatomic potential
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资源简介：
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.
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Zenodo创建时间：
2025-06-23
