• Formula : CrSiTe3
  • Space Group : R3 (146)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 6.7578
    b = 6.7578
    c = 20.6649
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 72
  • Band gap = 0.0 eV
    Direct Gap = 0.017 eV
    Metallicity = 0.103
    Topological Z2 indices ν = (1;111)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 62379

Band structure with spin-orbit coupling

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