Geometry

Info

ID:

5460

ICSD:

153239

Name:

Calcium manganese oxide (1/1/2.98)

Comp.:

Ca1Mn1O2.98

Symm.:

 Pnma(62)

Latt.:

 orthorhombic

Spin:

 11.829

Eg/Eg':

0.522/None eV

me/mh:

-22.594/693.195

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