Charge transport in Al2S3 and its relevance in secondary Al-S batteries

This dataset supplements the publication "Charge transport in Al2S3 and its relevance in secondary Al-S batteries" by Steen Lysgaard and Juan María García Lastra. https://doi.org/10.1021/acs.jpcc.1c04484The dataset consists of an ASE database and some trajectory files with structures.With this and the scripts located at https://gitlab.com/asm-dtu/supporting-publication/charge-transport-in-al2s3-and-its-relevance-in-secondary-al-s-batteries it is possible to recreate the grahps in the paper.

本数据集作为出版物《Al2S3中的电荷传输及其在次级Al-S电池中的相关性》的补充，由Steen Lysgaard与Juan María García Lastra共同撰写。该出版物可查阅于https://doi.org/10.1021/acs.jpcc.1c04484。数据集包含一个ASE数据库以及若干结构轨迹文件。结合位于https://gitlab.com/asm-dtu/supporting-publication/charge-transport-in-al2s3-and-its-relevance-in-secondary-al-s-batteries的脚本，可复现论文中所述的图表。