Formula P16S28
Reduced formula P4S7
Stoichiometry A4B7
Number of species 2
Number of atoms 44
Unique ID P16S28
Unit cell volume [Å3] 1067.280
Heat of formation [eV/atom] -0.167
Energy [eV] -207.359
Maximum force [eV/Å] 0.182
Maximum stress component [eV/Å3] 0.011
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 9.024 0.000 -0.007 Yes
2 0.000 17.476 0.000 Yes
3 -0.333 0.000 6.768 Yes
Lengths [Å] 9.024 17.476 6.776
Angles [°] 90.000 92.861 90.000
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