Formula Pt12Br36
Reduced formula PtBr3
Stoichiometry AB3
Number of species 2
Number of atoms 48
Unique ID Pt12Br36
Unit cell volume [Å3] 1231.468
Heat of formation [eV/atom] -0.257
Energy [eV] -145.616
Maximum force [eV/Å] 0.048
Maximum stress component [eV/Å3] 0.022
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 7.549 4.358 2.066 Yes
2 -9.300 8.141 3.859 Yes
3 0.875 -10.923 6.897 Yes
Lengths [Å] 8.958 12.948 12.948
Angles [°] 114.849 103.333 103.333
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