Formula Ti5Se4
Reduced formula Ti5Se4
Stoichiometry A4B5
Number of species 2
Number of atoms 9
Unique ID Se4Ti5
Unit cell volume [Å3] 163.744
Heat of formation [eV/atom] -1.062
Energy [eV] -56.939
Maximum force [eV/Å] 0.044
Maximum stress component [eV/Å3] 0.006
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 0.000 0.000 3.477 Yes
2 4.852 4.852 -1.739 Yes
3 -4.852 4.852 1.739 Yes
Lengths [Å] 3.477 7.079 7.079
Angles [°] 93.458 75.784 104.216
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