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MgTa2N3: A reference Dirac semimetal

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 authors emails: wuquansheng@gmail.com
DOI10.24435/materialscloud:2019.0018/v1 [version v1]

Publication date: May 13, 2019

How to cite this record

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

Description

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 record.

Files

File name Size Description
PhysRevB.98.081115-materialscloud-archive.tar.gz
MD5md5:dd00ce471b58995271852e10bef4ecf4
6.6 KiB
README.txt
MD5md5:e8358893f90ac38125b5da4b0e2aeae0
644 Bytes

License

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

Keywords

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

Version history:

2019.0018/v1 (version v1) [This version] May 13, 2019 DOI10.24435/materialscloud:2019.0018/v1