Geometry

Info

ID:

4876

ICSD:

188893

Name:

Carbon dioxide

Comp.:

C1O2

Symm.:

 Cmca(64)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

6.719/None eV

me/mh:

-74.935/35.375

K-data

high symmetry path:

R - S - G - Z - T - Y - G

high symmetry points:

G: 0.0 0.0 0.0 S: 0.0 0.5 0.0 R: 0.0 0.5 0.5 T: -0.5 0.5 0.5 Y: -0.5 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands