Formula Se8Cl32
Reduced formula SeCl4
Stoichiometry AB4
Number of species 2
Number of atoms 40
Unique ID Se8Cl32
Unit cell volume [Å3] 1113.566
Heat of formation [eV/atom] -0.359
Energy [eV] -99.336
Maximum force [eV/Å] 0.062
Maximum stress component [eV/Å3] 0.008
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 -8.333 -4.954 -0.001 Yes
2 8.333 -4.954 0.001 Yes
3 1.475 4.954 13.489 Yes
Lengths [Å] 9.694 9.694 14.446
Angles [°] 95.013 105.253 118.539
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