Formula S4Zr6
Reduced formula S2Zr3
Stoichiometry A2B3
Number of species 2
Number of atoms 10
Unique ID S4Zr6
Unit cell volume [Å3] 199.352
Heat of formation [eV/atom] -1.218
Energy [eV] -72.912
Maximum force [eV/Å] 0.028
Maximum stress component [eV/Å3] 0.007
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 -6.211 0.000 0.000 Yes
2 3.106 -5.379 0.000 Yes
3 -3.106 1.793 5.967 Yes
Lengths [Å] 6.211 6.211 6.962
Angles [°] 116.494 63.506 120.000
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