Geometry

Info

ID:

4401

ICSD:

240325

Name:

Pentanickel tetrakis(selenate(IV)) dichloride

Comp.:

Br2Ni5O12Se4

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

9.790

Eg/Eg':

4.060/4.000 eV

me/mh:

-96.927/-409.889

K-data

high symmetry path:

G - Z - T - Y - G - X - V - R - U

high symmetry points:

G: 0.0 0.0 0.0 R: 0.5 0.5 0.5 U: 0.5 0.0 0.5 T: 0.0 0.5 0.5 V: 0.5 0.5 0.0 Y: 0.0 0.5 0.0 X: 0.5 0.0 0.0 Z: 0.0 0.0 0.5

DOS

Bands