• Formula : TlSbSe2
  • Space Group : P2_1 (4)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 9.137
    b = 4.097
    c = 12.765
    α = 90.0
    β = 111.75
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 120
  • Band gap = 0.475 eV
    Direct Gap = 0.475 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 36537

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes