. 2025 Jul 24;15(32):26515–26536. doi: 10.1039/d5ra03487f

Table 1. The variation of lattice constant, unit-cell volume, and direct energy bandgap of Cs₂SnZ₆ in GGA-PBE function.

Material	Lattice constant (Å)	Bandgap (eV)	Unit-cell volume (a.u.)³
Cs₂SnCl₆	10.49	2.652 (GGA-PBE)	1155.34
Cs₂SnBr₆	10.99	1.358 (GGA-PBE)	1326.03
Cs₂SnI₆	11.78	0.228 (GGA-PBE)	1634.48

Table 1. The variation of lattice constant, unit-cell volume, and direct energy bandgap of Cs2SnZ6 in GGA-PBE function.