Formula Pt3Zr
Reduced formula Pt3Zr
Stoichiometry AB3
Number of species 2
Number of atoms 4
Unique ID ZrPt3
Unit cell volume [Å3] 65.706
Heat of formation [eV/atom] -1.052
Energy [eV] -30.675
Maximum force [eV/Å] 0.000
Maximum stress component [eV/Å3] 0.010
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.035 0.000 0.000 Yes
2 0.000 4.035 0.000 Yes
3 0.000 0.000 4.035 Yes
Lengths [Å] 4.035 4.035 4.035
Angles [°] 90.000 90.000 90.000
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