Formula Ta4Se12
Reduced formula TaSe3
Stoichiometry AB3
Number of species 2
Number of atoms 16
Unique ID Ta4Se12
Unit cell volume [Å3] 361.700
Heat of formation [eV/atom] -0.676
Energy [eV] -91.882
Maximum force [eV/Å] 0.100
Maximum stress component [eV/Å3] 0.002
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 10.679 0.000 -0.120 Yes
2 0.000 3.514 0.000 Yes
3 -2.951 0.000 9.671 Yes
Lengths [Å] 10.680 3.514 10.111
Angles [°] 90.000 107.612 90.000
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