Geometry

Info

ID:

2927

ICSD:

418423

Name:

Barium triazide chloride

Comp.:

Ba1Cl1N3

Symm.:

 P121/m1(11)

Latt.:

 monoclinic

Spin:

 0.000

Eg/Eg':

4.238/4.103 eV

me/mh:

70.428/210.728

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands