Geometry

Info

ID:

578

ICSD:

150333

Name:

Lithium calcium hexafluoroaluminate

Comp.:

Al1Ca1F6Li1

Symm.:

P-31c(163)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

7.751/7.721 eV

me/mh:

2.587/-149.763

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