Ca2Ga8O14

MatHub3d-25118-Ca2Ga8O14

Basic properties

Property Value
Space group (15, "'C2/c'")
Magnetic False
Band gap (PBE) (eV) 2.96
Total energy (eV) -151.953
Total energy / atom (eV) -6.331

Lattice Parameters(from the source)

a, b, c (Å): 13.070 9.080 5.600
α, β, γ(°): 90.0 105.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 7.970 7.970 5.590
α, β, γ(°): 102.0 102.0 69.0

Deformation Potential

n_type (eV): -1.295
p_type (eV): 4.971

Energy and volume

Ca2Ga8O14
.
Property Value
Bulk-modulus 133.354 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ca2Ga8O14
  
Property Value
Band gap 2.96 eV
Band degeneracy(CBM) 1.00
Band degeneracy(VBM) 1.00

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 -9.91724
Eband_CBM -0.5382

Data source

Property Value
Source icsd-10351-Ca2Ga8O14