Br2Cu2N2
MatHub2d-1174-Br2Cu2N2
Property |
Value |
Space group |
(59, 'Pmmn') |
Crystal system |
rectangular |
Magnetic |
Yes |
Band gap (PBE) (eV) |
0.00 |
Free energy (eV) |
-19.633 |
Free energy / atom (eV) |
-3.272 |
Lattice Parameters (basic)
a, b, c (Å): | 3.277 | 3.793 | 30.000 |
α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
a, b, c (Å): | 3.259 | 3.780 | 30.000 |
α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Property |
Value |
Band gap |
0.00 eV |
E-fermi |
-3.746 eV |
Vacuum level |
2.574 eV |
VBM |
-3.747 eV |
CBM |
-3.745 eV |
Work function |
6.320 eV |
Direct gap |
No |
Property |
Value |
Band gap |
0.00 eV |
E-fermi |
-3.746 eV |
Vacuum level |
2.574 eV |
VBM |
-3.747 eV |
CBM |
-3.745 eV |
Work function |
6.320 eV |
Property |
Value |
from where |
c2db-94 |