Geometry

Info

ID:

12263

ICSD:

171866

Name:

Manganese(IV) oxide

Comp.:

Mn1O2

Symm.:

 Pnma(62)

Latt.:

 orthorhombic

Spin:

 11.870

Eg/Eg':

1.161/1.024 eV

me/mh:

31.858/-78.851

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