Formula Se4Nb8
Reduced formula SeNb2
Stoichiometry AB2
Number of species 2
Number of atoms 12
Unique ID Se4Nb8
Unit cell volume [Å3] 227.385
Heat of formation [eV/atom] -0.555
Energy [eV] -103.199
Maximum force [eV/Å] 0.158
Maximum stress component [eV/Å3] 0.009
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 0.000 -3.442 0.000 Yes
2 -7.053 1.721 0.040 Yes
3 0.340 0.000 -9.369 Yes
Lengths [Å] 3.442 7.260 9.375
Angles [°] 92.335 90.000 103.713
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