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Formula : P
4
Os
Space Group :
P-1 (2)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 7.54
b = 7.153
c = 4.718
α = 100.38
β = 90.34
γ = 111.2
Number of atoms per primitive cell = 15
Total number of electrons per primitive cell = 108
Band gap = 1.3925 eV
Direct Gap = 1.534 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 647710
Band structure with spin-orbit coupling