About

About our group

@Yang Jiong [jiongy@t.shu.edu.cn]

How to cite

If you are using data from this database in your research, please cite the following papers:

Yao, M., Wang, Y., Yang, J. et al. Materials informatics platform with three dimensional structures, workflow and thermoelectric applications. Scientific Data 8, 236 (2021). https://doi.org/10.1038/s41597-021-01022-6

If you are using the code for the electrical transport properties, TransOpt, please cite the following paper:

Li, X. Yang, J. et al. TransOpt. A code to solve electrical transport properties of semiconductors in constant electron-phonon coupling approximation. Computational Materials Science 186, 110074 (2021). https://doi.org/10.1016/j.commatsci.2020.110074

For the ionized impurity scattering implemented in TransOpt, please also cite this paper:

Zhang, J., Zhang, Z., Xi, L. et al. Intrinsic defects and the influences on electrical transport properties in quaternary diamond-like compounds: Cd2Cu3In3Te8 as an example. Journal of Materiomics. https://doi.org/10.1016/j.jmat.2022.05.003

Information

The CHGCAR file from VASP is too large,so we do not provide downloads from the web page. You can contact us if you need it.

How it runs

This DB is powered by MongoDB

Similar databases produced by other groups include

Materials Project

Open Quantum Materials Database

Automatic Flow for Materials Discovery