Geometry

Info

ID:

7731

ICSD:

9600

Name:

Tricesium hexafluoroniccolate fluoride

Comp.:

Cs3F7Ni1

Symm.:

 P4/mbm(127)

Latt.:

 tetragonal

Spin:

 0.002

Eg/Eg':

0.751/0.743 eV

me/mh:

795.589/43.572

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