Formula Nb4Se18
Reduced formula Nb2Se9
Stoichiometry A2B9
Number of species 2
Number of atoms 22
Unique ID Nb4Se18
Unit cell volume [Å3] 600.392
Heat of formation [eV/atom] -0.538
Energy [eV] -115.840
Maximum force [eV/Å] 0.202
Maximum stress component [eV/Å3] 0.002
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 8.335 -0.091 0.075 Yes
2 -0.350 8.518 0.035 Yes
3 -0.833 -1.429 8.446 Yes
Lengths [Å] 8.336 8.526 8.606
Angles [°] 99.086 94.942 92.975
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