Geometry

Info

ID:

9062

ICSD:

186309

Name:

Sodium iron dioxide

Comp.:

Fe1Na1O2

Symm.:

 Pna21(33)

Latt.:

 orthorhombic

Spin:

 19.240

Eg/Eg':

2.629/None eV

me/mh:

-76.454/-254.040

K-data

high symmetry path:

G - Z - T - Y - S - R - U - X - G - Y

high symmetry points:

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

DOS

Bands