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Host crystal info
Host material Al2Br2Se2
Layer group Pmmn
Point group mmm
Heat of formation [eV/atom] -0.926
Band gap (PBE) [eV] 1.534
Band gap (HSE) [eV] 2.322
C2DB link Al2Br2Se2-1b6ba48355c2
Defect properties
Defect-defect distance [Ang] 15.377
  XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 15.706 0.000 0.000 Yes
2 5.235 14.459 0.000 Yes
3 0.000 0.000 21.342 No
Lengths [Å] 15.706 15.377 21.342
Angles [°] 90.000 90.000 70.096
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