• Formula : BC2N
  • Space Group : P1 (1)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 3.655
    b = 3.655
    c = 3.665
    α = 87.1
    β = 87.1
    γ = 87.11
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 32
  • Band gap = 0.1899 eV
    Direct Gap = 0.191 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 191802

Band structure with spin-orbit coupling

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