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Formula : VFeMoO
7
Space Group :
P-1 (2)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 5.564
b = 6.669
c = 7.909
α = 96.29
β = 90.33
γ = 101.32
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 154
Band gap = 0.0 eV
Direct Gap = 0.008 eV
Metallicity = 0.249
Topological Z2 indices ν = (1;110)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 408562
Band structure with spin-orbit coupling