Formula Pt2Zr2
Reduced formula PtZr
Stoichiometry AB
Number of species 2
Number of atoms 4
Unique ID Pt2Zr2
Unit cell volume [Å3] 76.873
Heat of formation [eV/atom] -1.122
Energy [eV] -32.003
Maximum force [eV/Å] 0.019
Maximum stress component [eV/Å3] 0.006
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 -3.424 0.000 0.000 Yes
2 0.000 0.000 -4.321 Yes
3 -1.712 -5.195 0.000 Yes
Lengths [Å] 3.424 4.321 5.470
Angles [°] 90.000 71.759 90.000
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