Geometry

Info

ID:

3012

ICSD:

182600

Name:

Barium magnesium tetrafluoride - HP

Comp.:

Ba1F4Mg1

Symm.:

 Cmcm(63)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

6.995/6.970 eV

me/mh:

2.694/-272.386

K-data

high symmetry path:

R - S - G - Z - T - Y - G

high symmetry points:

G: 0.0 0.0 0.0 S: 0.0 0.5 0.0 R: 0.0 0.5 0.5 T: -0.5 0.5 0.5 Y: -0.5 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands