Research data for "Real-Space Visualization of the Intrinsic Aging in N-type Mg3(Sb, Bi)2 Thermoelectrics"

Yuxiang Gong; Nuo Qu; Sumayya; Yuke Zhu; Jianbo Zhu; Tinglu Song; Qianru Lin; Lankun Wang; Ran Xin; Fengkai Guo; Wei Cai; Yuan Yu; Jiehe Sui; Zihang Liu

doi:10.5281/zenodo.21410669

Research data for "Real-Space Visualization of the Intrinsic Aging in N-type Mg3(Sb, Bi)2 Thermoelectrics"

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: Yuxiang Gong, Nuo Qu, Sumayya, Yuke Zhu, Jianbo Zhu, Tinglu Song, Qianru Lin, Lankun Wang, Ran Xin, Fengkai Guo, Wei Cai, Yuan Yu

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Jiehe Sui, Zihang Liu

DOI: 10.5281/zenodo.21410669

Cited by: 1

Abstract

This dataset supports the paper "Real-space visualization of the intrinsic aging in 𝑛-type Mg3(Sb,Bi)2 thermoelectrics". The paper is online here:https://doi.org/10.1103/gl3r-hxtm The following folders are provided: NEP_potential: The NEP potentials used in this study. NEP_train_data: This folder contains all the relevant files for training the NEP of Mg3Sb2, including the training dataset named train.xyz, the test dataset named test.xyz, and the training parameter file nep.in. structure_file: This folder contains the original structure files used in the simulations described in the article..

Publication details

Journal / source: Zenodo (CERN European Organization for Nuclear Research)
Publication date: 17 July 2026
Document type: Dataset