• Formula : CaSb2
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.746
    b = 4.177
    c = 9.084
    α = 90.0
    β = 106.3
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 40
  • Band gap = 0.0 eV
    Direct Gap = 0.070 eV
    Metallicity = 0.251
    Topological Z2 indices ν = (1;011)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 862

Band structure with spin-orbit coupling

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