Formula Cu2Se4
Reduced formula CuSe2
Stoichiometry AB2
Number of species 2
Number of atoms 6
Unique ID Cu2Se4
Unit cell volume [Å3] 118.402
Heat of formation [eV/atom] -0.100
Energy [eV] -21.884
Maximum force [eV/Å] 0.040
Maximum stress component [eV/Å3] 0.007
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 5.035 0.000 0.000 Yes
2 0.000 6.223 0.000 Yes
3 0.000 0.000 3.779 Yes
Lengths [Å] 5.035 6.223 3.779
Angles [°] 90.000 90.000 90.000
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