Formula Re4S4Te4
Reduced formula ReSTe
Stoichiometry ABC
Number of species 3
Number of atoms 12
Unique ID 21
Unit cell volume [Å3] 264.790
Direct bandgap GLLB-SC. [eV] 0.797
Indirect bandgap GLLB-SC. [eV] 0.434
Derivative discontinuity GLLB-SC. [eV] 0.108
ID of materials in Materials project 5222
ID of materials in ICSD 82721
Energy [eV] -74.934
Total magnetic moment [μB] 0.000
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 7.208 0.000 0.000 Yes
2 3.604 6.242 0.000 Yes
3 3.604 2.081 5.885 Yes
Lengths [Å] 7.208 7.208 7.208
Angles [°] 60.000 60.000 60.000
This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.
Creative Commons License