Formula Nb6S8
Reduced formula Nb3S4
Stoichiometry A3B4
Number of species 2
Number of atoms 14
Unique ID Nb6S8
Unit cell volume [Å3] 272.287
Heat of formation [eV/atom] -1.183
Energy [eV] -111.142
Maximum force [eV/Å] 0.249
Maximum stress component [eV/Å3] 0.006
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 9.629 -0.000 0.000 Yes
2 -4.815 8.339 0.000 Yes
3 0.000 0.000 3.391 Yes
Lengths [Å] 9.629 9.629 3.391
Angles [°] 90.000 90.000 120.000
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