• Formula : InCuSe2
  • Space Group : P1 (1)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.774
    b = 5.774
    c = 7.095
    α = 113.95
    β = 113.95
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 72
  • Band gap = 0.0 eV
    Direct Gap = 0.016 eV
    Metallicity = 0.025
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 250247

Band structure with spin-orbit coupling

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