Geometry

Info

ID:

579

ICSD:

80542

Name:

Sodium calcium pentafluoroaluminate fluoride - beta

Comp.:

Al1Ca1F6Na1

Symm.:

P321(150)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

7.132/7.118 eV

me/mh:

9.225/-246.667

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