In1Mo2O8Rb1

MatHub3d-55493-In1Mo2O8Rb1

Property Value
Space group (164, "'P-3m1'")
Magnetic False
Band gap (PBE) (eV) 4.10
Total energy (eV) -83.595
Total energy / atom (eV) -6.966

Lattice Parameters(from the source)

a, b, c (Å): 5.820 5.820 7.620
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 5.910 5.910 7.840
α, β, γ(°): 90.0 90.0 120.0

Deformation Potential

n_type (eV): -3.295
p_type (eV): 3.911
In1Mo2O8Rb1
.
Property Value
Bulk-modulus 109.273 GPa






In1Mo2O8Rb1
  
Property Value
Band gap 4.10 eV
Band degeneracy(CBM) 3.00
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 10.74442
Eband_CBM -24.0436
Property Value
Source icsd-10186-In1Mo2O8Rb1