Formula Ge12S24
Reduced formula GeS2
Stoichiometry AB2
Number of species 2
Number of atoms 36
Unique ID 3
Unit cell volume [Å3] 909.592
Band gap (PBE) [eV] 2.418
ICSD number 44
Number of species 2
Defect tolerant No
Magnetic Yes
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 6.803 0.000 0.009 Yes
2 0.000 22.611 0.000 Yes
3 -3.407 0.000 5.909 Yes
Lengths [Å] 6.804 22.611 6.821
Angles [°] 90.000 119.899 90.000
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