Formula Ba
Reduced formula Ba
Stoichiometry A
Number of species 1
Number of atoms 1
Unique ID Ba
Unit cell volume [Å3] 63.442
Heat of formation [eV/atom] 0.000
Energy [eV] -1.828
Maximum force [eV/Å] 0.000
Maximum stress component [eV/Å3] 0.003
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 2.513 2.513 2.513 Yes
2 2.513 -2.513 -2.513 Yes
3 -2.513 2.513 -2.513 Yes
Lengths [Å] 4.352 4.352 4.352
Angles [°] 109.471 109.471 109.471
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