Formula Se6Al4
Reduced formula Se3Al2
Stoichiometry A2B3
Number of species 2
Number of atoms 10
Unique ID Al4Se6
Unit cell volume [Å3] 257.013
Heat of formation [eV/atom] -0.841
Energy [eV] -44.261
Maximum force [eV/Å] 0.049
Maximum stress component [eV/Å3] 0.002
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 0.000 -6.793 0.000 Yes
2 -5.943 3.397 -0.011 Yes
3 3.837 0.000 -6.359 Yes
Lengths [Å] 6.793 6.845 7.427
Angles [°] 116.565 90.000 119.748
This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web