Geometry

Info

ID:	12022
ICSD:	40270
Name:	Lithium molybdenum oxide (4/1/5)
Comp.:	Li4Mo1O5
Symm.:	P-1(2)
Latt.:	triclinic
Spin:	0.000
E_g/E_g':	3.062/3.015 eV
m_e/m_h:	-360.377/-159.778

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