Formula Fe4Ba12S20
Reduced formula FeBa3S5
Stoichiometry AB3C5
Number of species 3
Number of atoms 36
Unique ID 19
Unit cell volume [Å3] 967.465
Band gap (PBE) [eV] 0.000
ICSD number 280
Number of species 3
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 11.868 0.000 0.000 Yes
2 0.000 9.588 0.000 Yes
3 0.000 0.000 8.502 Yes
Lengths [Å] 11.868 9.588 8.502
Angles [°] 90.000 90.000 90.000
This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web