In1Te1

MatHub2d-1800-In1Te1

Property Value
Space group (123, 'P4/mmm')
Crystal system square
Magnetic No
Band gap (PBE) (eV) 0.00
Free energy (eV) -5.744
Free energy / atom (eV) -2.872

Lattice Parameters (basic)

a, b, c (Å): 4.255 4.255 30.000
α, β, γ (°): 90.000 90.000 90.000

Lattice Parameters (computed)

a, b, c (Å): 4.263 4.263 30.000
α, β, γ (°): 90.000 90.000 90.000
In1Te1
Property Value
Band gap 0.00 eV
E-fermi -3.735 eV
Vacuum level 1.148 eV
VBM -3.768 eV
CBM -3.725 eV
Work function 4.883 eV
Direct gap No
In1Te1
Property Value
Band gap 0.00 eV
E-fermi -3.735 eV
Vacuum level 1.148 eV
VBM -3.768 eV
CBM -3.725 eV
Work function 4.883 eV
Cij (N/m) xx yy xy
xx 38.132 18.417 -0.000
yy 18.417 38.132 0.000
xy -0.000 0.000 11.621
Phonon mode at Γ point (THz)
-0.033
-0.002
-0.002
1.492
3.179
3.179

Property Value
from where c2db-1499