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Indian Journal of Materials Science
Table of Contents
Indian Journal of Materials Science
/
2016
/
Article
/
Tab 1
/
Research Article
DFT Study on the Carrier Concentration and Temperature-Dependent Thermoelectric Properties of Antimony Selenide
Table 1
Fractional coordinates of atoms in Sb
2
Se
3
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