Ge6Nb2O18Rb2

MatHub3d-50794-Ge6Nb2O18Rb2

Property Value
Space group (188, "'P-6c2'")
Magnetic False
Band gap (PBE) (eV) 3.37
Total energy (eV) -191.133
Total energy / atom (eV) -6.826

Lattice Parameters(from the source)

a, b, c (Å): 7.040 7.040 10.130
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 7.170 7.170 10.300
α, β, γ(°): 90.0 90.0 120.0

Deformation Potential

n_type (eV): -1.876
p_type (eV): 5.441
Ge6Nb2O18Rb2
.
Property Value
Bulk-modulus 127.755 GPa






Ge6Nb2O18Rb2
  
Property Value
Band gap 3.37 eV
Band degeneracy(CBM) 1.00
Band degeneracy(VBM) 3.00
n-type Seebeck coefficient (700K)



p-type Seebeck coefficient (700K)
n-type conductivity (700K)



p-type conductivity (700K)
n-type power factor (700K)



p-type power factor (700K)






Eband_VBM -2.22444
Eband_CBM -42.08816
Property Value
Source icsd-10382-Ge6Nb2O18Rb2