Geometry

Info

ID:

4870

ICSD:

290503

Name:

Carbon dioxide

Comp.:

C1O2

Symm.:

I-42d(122)

Latt.:

tetragonal

Spin:

0.000

Eg/Eg':

7.674/7.674 eV

me/mh:

20.032/126.274

K-data

high symmetry path:

G - X - P - N - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 -0.5 N: 0.0 0.5 0.0 P: 0.25 0.25 0.25 X: 0.0 0.0 0.5

DOS

Bands