Ba2Ge6O18Sn2

MatHub3d-12644-Ba2Ge6O18Sn2

Basic properties

Property Value
Space group (188, "'P-6c2'")
Magnetic False
Band gap (PBE) (eV) 2.89
Total energy (eV) -182.725
Total energy / atom (eV) -6.526

Lattice Parameters(from the source)

a, b, c (Å): 6.890 6.890 10.230
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 6.990 6.990 10.340
α, β, γ(°): 90.0 90.0 120.0

Deformation Potential

n_type (eV): -3.776
p_type (eV): 4.643

Energy and volume

Ba2Ge6O18Sn2
.
Property Value
Bulk-modulus 126.528 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ba2Ge6O18Sn2
  
Property Value
Band gap 2.89 eV
Band degeneracy(CBM) 1.00
Band degeneracy(VBM) 2.00

Electric transport properties

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)

Bonding information







Eband_VBM -15.62101
Eband_CBM -0.75363

Data source

Property Value
Source icsd-10384-Ba2Ge6O18Sn2