Formula Nb4S12
Reduced formula NbS3
Stoichiometry AB3
Number of species 2
Number of atoms 16
Unique ID Nb4S12
Unit cell volume [Å3] 315.285
Heat of formation [eV/atom] -0.811
Energy [eV] -103.222
Maximum force [eV/Å] 0.200
Maximum stress component [eV/Å3] 0.004
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 5.007 0.001 0.007 Yes
2 0.001 6.789 -0.002 Yes
3 -1.138 -0.003 9.274 Yes
Lengths [Å] 5.007 6.789 9.343
Angles [°] 90.039 96.913 89.982
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