In2Nb2O8

MatHub3d-55678-In2Nb2O8

Property Value
Space group (13, "'P2/c'")
Magnetic False
Band gap (PBE) (eV) 3.33
Total energy (eV) -89.192
Total energy / atom (eV) -7.433

Lattice Parameters(from the source)

a, b, c (Å): 4.840 5.770 5.140
α, β, γ(°): 90.0 91.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 4.870 5.860 5.220
α, β, γ(°): 90.0 91.0 90.0

Deformation Potential

n_type (eV): -0.718
p_type (eV): 4.720
In2Nb2O8
.
Property Value
Bulk-modulus 203.715 GPa






In2Nb2O8
  
Property Value
Band gap 3.33 eV
Band degeneracy(CBM) 2.00
Band degeneracy(VBM) 1.00
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 -20.11585
Eband_CBM -57.2724
Property Value
Source icsd-100695-In2Nb2O8