Geometry

Info

ID:

7477

ICSD:

67169

Name:

Cesium iron fluoride

Comp.:

Cs1F3Fe1

Symm.:

P63/mmc(194)

Latt.:

hexagonal

Spin:

23.403

Eg/Eg':

4.543/4.539 eV

me/mh:

2.259/None

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands