Formula Mn2S2
Reduced formula MnS
Stoichiometry AB
Number of species 2
Number of atoms 4
Unique ID Mn2S2
Unit cell volume [Å3] 89.032
Heat of formation [eV/atom] -0.450
Energy [eV] -29.390
Maximum force [eV/Å] 0.020
Maximum stress component [eV/Å3] 0.005
Total magnetic moment [μB] 9.936
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.986 0.000 0.000 Yes
2 -1.993 3.452 0.000 Yes
3 0.000 0.000 6.471 Yes
Lengths [Å] 3.986 3.986 6.471
Angles [°] 90.000 90.000 120.003
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