• Formula : Cu2SnSe3
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.939
    b = 11.95
    c = 6.975
    α = 90.0
    β = 109.72
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 108
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.171
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 247698

Band structure with spin-orbit coupling

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