Geometry

Info

ID:

3419

ICSD:

262135

Name:

Dibarium nitride chloride

Comp.:

Ba2Cl1N1

Symm.:

 R-3mH(166)

Latt.:

 rhombohedral

Spin:

 0.000

Eg/Eg':

1.094/None eV

me/mh:

3.120/666.926

K-data

high symmetry path:

G - L - F - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 0.5 L: 0.0 0.5 0.0 F: 0.5 0.5 0.0

DOS

Bands