Geometry

Info

ID:

12041

ICSD:

66095

Name:

Hexalithium molydenum nitride

Comp.:

Li6Mo1N4

Symm.:

 P42/nmcS(137)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

2.728/2.704 eV

me/mh:

-29.300/23.847

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands