Geometry

Info

ID:

3959

ICSD:

90153

Name:

Comp.:

Bi1K1P2Se6

Symm.:

 P1211(4)

Latt.:

 monoclinic

Spin:

 0.000

Eg/Eg':

1.880/1.801 eV

me/mh:

115.842/-83.583

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands