• Formula : ReN2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.817
    b = 2.835
    c = 9.363
    α = 90.0
    β = 142.4
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 50
  • Band gap = 0.0 eV
    Direct Gap = 0.405 eV
    Metallicity = 0.171
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 187441

Band structure with spin-orbit coupling

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