ZnSnS₃: Structure Prediction, Ferroelectricity, and Solar Cell Applications

Table 2

Evolution of ZnSnS₃ cell structure transition pathway.

Lattice constants (Å)	Lattice angles; , , (degrees)	Space group
10.4900, 3.7518, 6.3083	89.999, 55.314, 89.999	P21 (4)
8.4274, 5.3596, 6.8366	71.523, 50.845, 68.122	P1 ()
8.6655, 5.6717, 6.9900	64.035, 49.581, 64.901	P1 ()
6.7211, 6.7211, 6.7211	55.756, 55.756, 55.756	R3c (161)