Geometry

Info

ID:	6613
ICSD:	60856
Name:	Pentascandium octachloride nitride
Comp.:	Cl8N1Sc5
Symm.:	C12/m1(12)
Latt.:	monoclinic
Spin:	0.047
E_g/E_g':	None/None eV
m_e/m_h:	None/None

K-data

high symmetry path:

G - Y - V - G - A - M - L - V

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.5 L: 0.5 0.0 0.5 V: 0.5 0.0 0.0 Y: 0.5 0.5 0.0

DOS

Bands