• Formula : YCuAs2
  • Space Group : P4/nmm (129)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.888
    b = 3.888
    c = 9.881
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 64
  • Band gap = 0.0 eV
    Direct Gap = 0.048 eV
    Metallicity = 0.338
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Refinement of the crystal structure of five ternary arsenides, YCuAs~2~, TbCuAs~2~, DyCuAs~2~, ErCuAs~2~ and TmCuAs~2~,
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 217, 455 (2002)

Band structure with spin-orbit coupling