• Formula : Cs2TeH6SO10
  • Space Group : R3 (146)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 7.479
    b = 7.479
    c = 16.637
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 96
  • Band gap = 0.2894 eV
    Direct Gap = 0.323 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 93016

Band structure with spin-orbit coupling

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