Formula Nb4Se8
Reduced formula NbSe2
Stoichiometry AB2
Number of species 2
Number of atoms 12
Unique ID Nb4Se8
Unit cell volume [Å3] 269.876
Heat of formation [eV/atom] -0.878
Energy [eV] -79.708
Maximum force [eV/Å] 0.187
Maximum stress component [eV/Å3] 0.001
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.470 0.000 0.000 Yes
2 -1.735 3.005 0.000 Yes
3 0.000 0.000 25.879 Yes
Lengths [Å] 3.470 3.470 25.879
Angles [°] 90.000 90.000 120.000
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