Formula Mn4S6
Reduced formula Mn2S3
Stoichiometry A2B3
Number of species 2
Number of atoms 10
Unique ID Mn4S6
Unit cell volume [Å3] 149.153
Heat of formation [eV/atom] -0.541
Energy [eV] -68.742
Maximum force [eV/Å] 0.033
Maximum stress component [eV/Å3] 0.011
Total magnetic moment [μB] 8.009
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 -5.705 0.000 0.000 Yes
2 2.853 -4.945 -0.000 Yes
3 -2.853 1.649 5.287 Yes
Lengths [Å] 5.705 5.709 6.230
Angles [°] 117.266 62.744 119.980
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