A New Ternary Alloy of Cr2CuAl and its Structures


Using the new material structure prediction software CALYPSO, the possible structures of Cr2CuAl were studied; they are P4mm, Pmmm, Immm, P4mmm, I4/mmm, and F-43m crystal structures, all parameters of which were obtained. The F-43M structure, also called Hg2CuTi-type structure, is a high-ordered structure; with this structure, Cr2CuAl is a ferrimagnet with a magnetic moment of 0.45 μ B. The F-43M structure is a cubic structure, and the others are all tetragonal structures. Are there phase transitions between the structures as to that in Mn2NiGa? That is an interesting problem to investigate. There has been effort to synthesize Cr2CuAl, but because Al4Cu9 and AlCrCu2 have lower formation enthalpy, Cr2CuAl is difficult to synthesize.

This is a preview of subscription content, log in to check access.

Fig. 1
Fig. 2
Fig. 3


  1. 1.

    Wang, Y., Lv, J., Zhu, L., Ma, Y.: Phys. Rev. B 82, 094116 (2010)

    ADS  Article  Google Scholar 

  2. 2.

    Wang, Y., Miao, M., Lv, J., Zhu, L., Yin, K., Liu, H., Ma, Y.: J. Chem. Phys 137, 224108 (2012)

    ADS  Article  Google Scholar 

  3. 3.

    Lu, S., Wang, Y., Liu, H., Miao, M., Ma, Y.: Nat. Commun. 5, 3666 (2014)

    Google Scholar 

  4. 4.

    Kennedy, J., Eberhart, R.: p. 1942. IEEE, Piscataway, NJ (1995)

  5. 5.

    Murray, S.J., Marioni, M., Allen, S.M., O’Handley, R.C., Lograsso, T.A.: Appl. Phys. Lett 77, 886 (2000)

    ADS  Article  Google Scholar 

  6. 6.

    de Groot, R.A., Mueller, F.M., van Engen, P.G., Buschow, K.H.J.: Phys. Rev. Lett 50, 2024 (1983)

  7. 7.

    Pierre, J., Skolozdra, R.V., Gorelenko, Yu. K., Kouacou, M.: J. Magn. Magn. Mater 134, 95 (1994)

    ADS  Article  Google Scholar 

  8. 8.

    D nni, A., Fischer, P., Fauth, F., Convert, P., Aoki, Y., Sugawara, H., Sato, H.: Physica B 259, 705 (1999)

    ADS  Article  Google Scholar 

  9. 9.

    Ullakko, K.: International Conference on Magnetic Trans., ICOMAT-95, Lausanne, Switzerland, Aug. 20–25 (1995)

  10. 10.

    Liu, Z.H., Zhang, M, Cui, Y.T., Zhou, Y.Q., Wang, W.H., Wu, G.H., Zhang, X.X., Xiao, G.: Appl. Phys. Lett 82, 424 (2003)

    ADS  Article  Google Scholar 

  11. 11.

    Sutou, Y., Imano, Y., Koeda, N., Omori, T., Kainum, R., Ishida, K., Oikawa, K.: Appl. Phys. Lett 85, 4358 (2004)

    ADS  Article  Google Scholar 

  12. 12.

    Kainuma, R., Imano, Y., Ito, W., Sutou, Y., Morito, H., Okamoto, S., Kitakami, O., Oikawa, K., Fujita, A., Kanomata, T., Ishida, K.: Nature 439, 957 (2006)

    ADS  Article  Google Scholar 

  13. 13.

    Oikawa, K., Ito, W., Imano, Y., Sutou, Y., Kainuma, R., Ishida, K., Okamoto, S., Kitakami, O., Kanomata, T.: Appl. Phys. Lett. 88, 22507 (2006)

    Article  Google Scholar 

  14. 14.

    Yu, S.Y., Liu, Z.H., Liu, G.D., Chen, J.L., Cao, Z.X., Wu, G.H., Zhang, B., Zhang, X.X.: Appl. Phys. Lett. 89, 162503 (2006)

    ADS  Article  Google Scholar 

  15. 15.

    Heusler, F., et al.: Deut. Phys. Ges 5, 219 (1903)

    Google Scholar 

  16. 16.

    Liu, G.D., Chen, J.L., Liu, Z.H., Dai, X.F., Wu, G.H., Zhang, B., Zhang, X.X.: Appl. Phys. Lett. 87, 262504 (2005)

    ADS  Article  Google Scholar 

Download references


The authors acknowledge the support by the Science and Technology Project of Hebei Province and the project number is 15211034. This research was also supported by the National Natural Science Foundation of China (Grant no. 51404085) and the Key Technology R&D Program of Tianjin City (Grant no. 15ZCZDSF00030).

Author information



Corresponding author

Correspondence to Lei Feng.

Rights and permissions

Reprints and Permissions

About this article

Verify currency and authenticity via CrossMark

Cite this article

Zhang, D., Feng, L., Li, C. et al. A New Ternary Alloy of Cr2CuAl and its Structures. J Supercond Nov Magn 30, 2921–2925 (2017). https://doi.org/10.1007/s10948-017-4121-6

Download citation


  • Structure prediction
  • Formation enthalpy
  • Crystal structure
  • Density of states
  • Magnetic moment