• Formula : TaSiAs
  • Space Group : P4/nmm (129)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.499
    b = 3.499
    c = 7.857
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 44
  • Band gap = 0.0 eV
    Direct Gap = 0.042 eV
    Metallicity = 0.125
    Topological Z2 indices ν = (0;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The Cu2Sb and related structures,
    Zeitschrift fur Kristallographie 171, 23 (1985)

Band structure with spin-orbit coupling