• Formula : NO
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.64
    b = 3.93
    c = 6.52
    α = 90.0
    β = 128.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 44
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.048
    Topological Z2 indices ν = (0;010)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 27871

Band structure with spin-orbit coupling

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