• Formula : KSb2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 14.055
    b = 4.233
    c = 7.053
    α = 90.0
    β = 95.02
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 38
  • Band gap = 0.1801 eV
    Direct Gap = 0.569 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 80945

Band structure with spin-orbit coupling

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