I10Nb2

MatHub3d-55226-I10Nb2

Basic properties

Property Value
Space group (2, "'P-1'")
Magnetic False
Band gap (PBE) (eV) 1.13
Total energy (eV) -37.510
Total energy / atom (eV) -3.126

Lattice Parameters(from the source)

a, b, c (Å): 6.980 7.590 10.320
α, β, γ(°): 109.0 91.0 116.0

Lattice Parameters(computed)

a, b, c (Å): 7.580 8.160 10.880
α, β, γ(°): 110.0 91.0 116.0

Deformation Potential

n_type (eV): 1.749
p_type (eV): 2.237

Energy and volume

I10Nb2
.
Property Value
Bulk-modulus 29.541 GPa

Density of States (DOS)







Electronic band structure (PBE)

I10Nb2
  
Property Value
Band gap 1.13 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 -14.25945
Eband_CBM -29.73749

Data source

Property Value
Source icsd-10457-I10Nb2