Formula As2
Reduced formula As
Stoichiometry A
Number of species 1
Number of atoms 2
Unique ID As2
Unit cell volume [Å3] 45.350
Heat of formation [eV/atom] 0.000
Energy [eV] -9.326
Maximum force [eV/Å] 0.020
Maximum stress component [eV/Å3] 0.001
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 4.235 -0.009 -0.006 Yes
2 2.534 3.393 -0.006 Yes
3 2.534 1.267 3.147 Yes
Lengths [Å] 4.235 4.235 4.235
Angles [°] 53.360 53.360 53.360
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