Formula P8S28
Reduced formula P2S7
Stoichiometry A2B7
Number of species 2
Number of atoms 36
Unique ID P8S28
Unit cell volume [Å3] 922.872
Heat of formation [eV/atom] -0.121
Energy [eV] -161.468
Maximum force [eV/Å] 0.222
Maximum stress component [eV/Å3] 0.009
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.537 0.000 -0.015 Yes
2 0.000 11.022 0.000 Yes
3 -0.742 0.000 12.811 Yes
Lengths [Å] 6.537 11.022 12.833
Angles [°] 90.000 93.453 90.000
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