Research Article

Molecular Dynamics Study on Lubrication Mechanism in Crystalline Structure between Copper and Sulfur

Table 1

Cu2S atomic coordinates and crystal data.
(a)

Element Coordinate (relative to unit cell)

S 1/3 2/3 1/4
Cu(1) 0 0 1/4
Cu(2) 1/3 2/3 0.578

(b)

Property Unit Value

Lattice constant(1) nm 0.389
Lattice constant(2) nm 0.688
Lattice constant(3) deg. 90.0
Lattice constant(4) deg. 90.0
Lattice constant(5) deg. 120.0
Atoms per unit cell ā€” 3
Space group ā€” P