Geometry

Info

ID:

4681

ICSD:

83607

Name:

Calcium carbonate - III

Comp.:

C1Ca1O3

Symm.:

C121(5)

Latt.:

monoclinic

Spin:

0.000

Eg/Eg':

5.067/5.023 eV

me/mh:

46.910/-78.175

K-data

high symmetry path:

G - Y - V - G - A - M - L - V

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.5 L: 0.5 0.0 0.5 V: 0.5 0.0 0.0 Y: 0.5 0.5 0.0

DOS

Bands