DFT Study on the Carrier Concentration and Temperature-Dependent Thermoelectric Properties of Antimony Selenide

Table 1

Fractional coordinates of atoms in Sb₂Se₃ unit cell.

Atom	WYCOFF positions
Sb()	4c	0.5304	0.25	0.1721
Sb()	4c	0.6475	0.75	0.4604
Se()	4c	0.6289	0.75	0.0553
Se()	4c	0.7141	0.25	0.3051
Se()	4c	0.4464	0.75	0.3713