Geometry

Info

ID:

3997

ICSD:

245818

Name:

Bismuth niccolate(III)

Comp.:

Bi1Ni1O3

Symm.:

 P-1(2)

Latt.:

 triclinic

Spin:

 7.886

Eg/Eg':

0.729/0.580 eV

me/mh:

-299.782/-128.952

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