Geometry

Info

ID:

5359

ICSD:

173438

Name:

Calcium iron(II) oxide

Comp.:

Ca1Fe1O2

Symm.:

 P4/mmm(123)

Latt.:

 tetragonal

Spin:

 3.926

Eg/Eg':

0.192/None eV

me/mh:

2.272/-2.117

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands