Geometry

Info

ID:

6206

ICSD:

424502

Name:

Chlorine triazide

Comp.:

Cl1N3

Symm.:

 Cmc21(36)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

2.279/2.261 eV

me/mh:

26.053/-8258.680

K-data

high symmetry path:

R - S - G - Z - T - Y - G

high symmetry points:

G: 0.0 0.0 0.0 S: 0.0 0.5 0.0 R: 0.0 0.5 0.5 T: -0.5 0.5 0.5 Y: -0.5 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands