• Formula : CuMoO4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.7366
    b = 4.872
    c = 5.8637
    α = 88.967
    β = 99.016
    γ = 92.553
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 98
  • Band gap = 0.0 eV
    Direct Gap = 0.027 eV
    Metallicity = 0.324
    Topological Z2 indices ν = (0;110)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 39439

Band structure with spin-orbit coupling