Geometry

Info

ID:

5356

ICSD:

257207

Name:

Calcium iron selene oxide

Comp.:

Ca1Fe1O1Se1

Symm.:

 Cmc21(36)

Latt.:

 orthorhombic

Spin:

 15.226

Eg/Eg':

1.893/None eV

me/mh:

4.336/-2.967

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