Formula P16S12
Reduced formula P4S3
Stoichiometry A3B4
Number of species 2
Number of atoms 28
Unique ID S12P16
Unit cell volume [Å3] 757.951
Heat of formation [eV/atom] -0.141
Energy [eV] -138.727
Maximum force [eV/Å] 0.148
Maximum stress component [eV/Å3] 0.008
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 11.256 0.000 0.000 Yes
2 0.000 10.139 0.000 Yes
3 0.000 0.000 6.642 Yes
Lengths [Å] 11.256 10.139 6.642
Angles [°] 90.000 90.000 90.000
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