Geometry

Info

ID:

3169

ICSD:

24129

Name:

Barium manganate(IV) - alpha

Comp.:

Ba1Mn1O3

Symm.:

 P63mc(186)

Latt.:

 hexagonal

Spin:

 5.901

Eg/Eg':

2.259/2.211 eV

me/mh:

274.348/-13.188

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