Geometry

Info

ID:

3168

ICSD:

89996

Name:

Barium manganate(IV) - 2H

Comp.:

Ba1Mn1O3

Symm.:

 P63cm(185)

Latt.:

 hexagonal

Spin:

 17.708

Eg/Eg':

2.253/2.201 eV

me/mh:

67.009/-48.466

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands