Formula P8S20
Reduced formula P2S5
Stoichiometry A2B5
Number of species 2
Number of atoms 28
Unique ID P8S20
Unit cell volume [Å3] 753.588
Heat of formation [eV/atom] -0.158
Energy [eV] -128.891
Maximum force [eV/Å] 0.213
Maximum stress component [eV/Å3] 0.008
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 9.290 0.018 -0.002 Yes
2 -3.232 8.827 -0.018 Yes
3 -1.793 -1.133 9.186 Yes
Lengths [Å] 9.290 9.400 9.428
Angles [°] 92.828 100.992 109.996
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