C16Cl4Ge2H48I4N4

MatHub2d-1294-C16Cl4Ge2H48I4N4

Property Value
Space group (4, 'P2_1')
Crystal system rectangular
Magnetic No
Band gap (PBE) (eV) 3.11
Free energy (eV) -389.669
Free energy / atom (eV) -4.996

Lattice Parameters (basic)

a, b, c (Å): 7.745 7.999 30.000
α, β, γ (°): 90.000 90.000 90.000

Lattice Parameters (computed)

a, b, c (Å): 8.232 8.469 30.000
α, β, γ (°): 90.000 90.000 90.000
C16Cl4Ge2H48I4N4
Property Value
Band gap 3.11 eV
E-fermi -2.624 eV
Vacuum level 2.055 eV
VBM -2.880 eV
CBM 0.229 eV
Work function 4.680 eV
Direct gap Yes
C16Cl4Ge2H48I4N4



C16Cl4Ge2H48I4N4
Property Value
Band gap 3.11 eV
E-fermi -2.624 eV
Vacuum level 2.055 eV
VBM -2.880 eV
CBM 0.229 eV
Work function 4.680 eV
Seebeck
p-type
n-type



Sigma
p-type
n-type
Property Value
from where c2db-1523