• Formula : CuMoO4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.3518
    b = 6.9857
    c = 7.4472
    α = 73.527
    β = 72.9783
    γ = 84.954
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 196
  • Band gap = 0.0 eV
    Direct Gap = 0.022 eV
    Metallicity = 0.740
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 190443

Band structure with spin-orbit coupling