css_table 3
INORGANIC COMPOUNDS BANDSTRUCTURES Density of states Electric transport (RTA) Disk usage (GB)
~1900 1898 1898 1896 127
DEFORMATION POTENTIAL ELASTIC MODULUS Electric transport (DP) PHONON THERMAL CONDUCTIVITY
133 133 133 142 79

About

About our group

This database was produced by Prof. Jiong Yang's group at Materials Genome Institute (MGI) of Shanghai University (SHU)

How to cite

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

  • Yao, M., Jin, Y., Yang, J. et al. MatHub-2d: A database for transport in 2D materials and a demonstration of high-throughput computational screening for high-mobility 2D semiconducting materials, SCIENCE CHINA Materials, https://doi.org/10.1007/s40843-022-2401-3.

    • How it running

  • This database is powered by mongoDB, Flask, Bootstrap, Python.
  • The band and DOS image plot using pyband.
  • The TransOpt. code.

    • Similar databases produced by other groups include

  • Materials Web
  • Materials Cloud
  • Computational 2D Materials Database
  • 2D Materials Encyclopedia

    • Calculation details

  • VASP, GGA-PBE, ENCUT = 520eV