Geometry

Info

ID:

4671

ICSD:

154685

Name:

Potassium calcium carbonate fluoride

Comp.:

C1Ca1F1K1O3

Symm.:

P-6m2(187)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

4.395/4.391 eV

me/mh:

2.983/-6.150

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