Formula S48
Reduced formula S
Stoichiometry A
Number of species 1
Number of atoms 48
Unique ID S48
Unit cell volume [Å3] 1347.177
Heat of formation [eV/atom] 0.000
Energy [eV] -195.747
Maximum force [eV/Å] 0.162
Maximum stress component [eV/Å3] 0.008
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 11.043 0.000 -0.054 Yes
2 0.000 11.007 0.000 Yes
3 -1.154 0.000 11.088 Yes
Lengths [Å] 11.044 11.007 11.148
Angles [°] 90.000 96.225 90.000
This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web