Geometry

Info

ID:

4877

ICSD:

236928

Name:

Carbon dioxide - IV

Comp.:

C1O2

Symm.:

 P41212(92)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

6.482/None eV

me/mh:

6.962/-41.112

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands