Formula ScF3
Reduced formula ScF3
Stoichiometry AB3
Number of species 2
Number of atoms 4
Unique ID ScF3
Unit cell volume [Å3] 63.125
Heat of formation [eV/atom] -4.102
Energy [eV] -25.826
Maximum force [eV/Å] 0.000
Maximum stress component [eV/Å3] 0.030
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.982 0.000 0.000 Yes
2 0.000 3.982 0.000 Yes
3 0.000 0.000 3.982 Yes
Lengths [Å] 3.982 3.982 3.982
Angles [°] 90.000 90.000 90.000
This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web