Geometry

Info

ID:	5796
ICSD:	98178
Name:	Calcium nitride thallium (7/2/3)
Comp.:	Ca7N2Tl3
Symm.:	Cmmm(65)
Latt.:	orthorhombic
Spin:	0.002
E_g/E_g':	None/None eV
m_e/m_h:	None/None

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