QPOD-logo

Host crystal info
Host material Al2Br2Se2
Layer group pmmn
Layer group number 46
Band gap (PBE) [eV] 1.535
Band gap (HSE) [eV] 2.322
Host unique ID (C2DB) 2AlBrSe-2
Defect properties
Defect-defect distance [Å] 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
This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web