• Formula : BiSe
  • Space Group : F2mm (42)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 6.3
    b = 5.968
    c = 24.34
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 42
  • Band gap = 0.0 eV
    Direct Gap = 0.033 eV
    Metallicity = 0.537
    Topological Z2 indices ν = (1;110)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 72197

Band structure with spin-orbit coupling

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