• Formula : CrSn2
  • Space Group : Fddd (70)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.44
    b = 5.417
    c = 18.396
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 168
  • Band gap = 0.0 eV
    Direct Gap = 0.010 eV
    Metallicity = 0.440
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structures of V Sn2, Nb Sn2 and Cr Sn2 with Mg2 Cu- type structure and Nb Sn Sb with Cu Al2-type structure,
    Journal of Alloys Compd. 210, 185 (1994)

Band structure with spin-orbit coupling