Geometry

Info

ID:

4271

ICSD:

10129

Name:

Copper bromide selenide (1/1/3)

Comp.:

Br1Cu1Se3

Symm.:

 Pmna(53)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

1.159/1.146 eV

me/mh:

123.156/132.990

K-data

high symmetry path:

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

high symmetry points:

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

DOS

Bands