Formula P2I6
Reduced formula PI3
Stoichiometry AB3
Number of species 2
Number of atoms 8
Unique ID 25
Unit cell volume [Å3] 393.553
Band gap (PBE) [eV] 2.321
ICSD number 311
Number of species 2
Defect tolerant No
Magnetic Yes
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 7.434 0.001 0.000 Yes
2 -3.716 6.437 0.000 Yes
3 0.000 0.000 8.224 Yes
Lengths [Å] 7.434 7.433 8.224
Angles [°] 90.000 90.000 119.992
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