Geometry

Info

ID:

5357

ICSD:

257208

Name:

Calcium iron selene oxide

Comp.:

Ca1Fe1O1Se1

Symm.:

 Pmcn(62)

Latt.:

 orthorhombic

Spin:

 15.226

Eg/Eg':

1.780/None eV

me/mh:

3.038/-3.247

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