Formula Cu6Se6
Reduced formula CuSe
Stoichiometry AB
Number of species 2
Number of atoms 12
Unique ID Cu6Se6
Unit cell volume [Å3] 240.957
Heat of formation [eV/atom] -0.141
Energy [eV] -44.649
Maximum force [eV/Å] 0.128
Maximum stress component [eV/Å3] 0.012
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.993 0.000 0.000 Yes
2 1.996 3.475 0.000 Yes
3 0.000 0.000 17.368 Yes
Lengths [Å] 3.993 4.008 17.368
Angles [°] 90.000 90.000 60.124
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