MgTa2N3: A reference Dirac semimetal

Authors: QuanSheng Wu1*, Christophe Piveteau2, Zhida Song3, Oleg V. Yazyev1

  1. Institute of Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland; National Centre for Computational Design and Discovery of Novel Materials MARVEL,Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland
  2. Institut für Theoretische Physik, ETH Zürich, 8093 Zürich, Switzerland
  3. Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Science, Beijing 100190, China
  • Corresponding author email:

DOI10.24435/materialscloud:2019.0018/v1 (version v1, submitted on 13 May 2019)

How to cite this entry

QuanSheng Wu, Christophe Piveteau, Zhida Song, Oleg V. Yazyev, MgTa2N3: A reference Dirac semimetal, Materials Cloud Archive (2019), doi: 10.24435/materialscloud:2019.0018/v1.


MgTa2N3 is predicted to host the topological Dirac semimetal phase. This archive includes input data necessary for reproducing first-principles calculation described in the publication.

Materials Cloud sections using this data

No Explore or Discover sections associated with this archive entry.


File name Size Description
MD5MD5: dd00ce471b58995271852e10bef4ecf4
6.6 KiB
MD5MD5: e8358893f90ac38125b5da4b0e2aeae0
644 Bytes


Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International.

External references

Journal reference (Paper to which this data refers to.)
QuanSheng Wu, Christophe Piveteau, Zhida Song, and Oleg V. Yazyev Phys. Rev. B 98, 081115(R) (2018) doi:10.1103/PhysRevB.98.081115


MARVEL MgTa2N3 Dirac semimetal VASP WannierTools MARVEL/DD6 Topological materials Topological semimetal

Version history

13 May 2019 [This version]