Ge6O18Rb2Ta2

MatHub3d-50812-Ge6O18Rb2Ta2

Property Value
Space group (188, "'P-6c2'")
Magnetic False
Band gap (PBE) (eV) 3.47
Total energy (eV) -195.740
Total energy / atom (eV) -6.991

Lattice Parameters(from the source)

a, b, c (Å): 7.040 7.040 10.120
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): -2.625
p_type (eV): 5.281
Ge6O18Rb2Ta2
.
Property Value
Bulk-modulus 131.180 GPa






Ge6O18Rb2Ta2
  
Property Value
Band gap 3.47 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 2.09513
Eband_CBM -13.82716
Property Value
Source icsd-10381-Ge6O18Rb2Ta2