• Formula : TlV3(CrS4)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 17.643
    b = 3.371
    c = 8.546
    α = 90.0
    β = 104.4
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 128
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.759
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 74296

Band structure with spin-orbit coupling