Author Topic: Hexagonal (wurtzite Structure) database  (Read 3407 times)

0 Members and 1 Guest are viewing this topic.

Offline hsharma

  • Regular QuantumATK user
  • **
  • Posts: 7
  • Country: in
  • Reputation: 0
    • View Profile
Hexagonal (wurtzite Structure) database
« on: January 8, 2017, 20:49 »
Dear Sir,

Would it be possible to keep Hexagonal (wurtzite Structure) like CdS, CdSe, SiC etc. in the database so that it will be easier for us to create the nano particles with hexagonal symmetry.

Thanks
Henu.

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: Hexagonal (wurtzite Structure) database
« Reply #1 on: January 9, 2017, 08:11 »
You may find those structures in the Crystallography Open Database.  In the Builder, go to Add->From Plugin->Crystallography Open database, and then search for materials comprised of Si and C chemical elements to find and add to the Stash the one you are interested in, e,g., hexagonal structure of SiC. The same can be done for CdS and CdSe.

Offline hsharma

  • Regular QuantumATK user
  • **
  • Posts: 7
  • Country: in
  • Reputation: 0
    • View Profile
Re: Hexagonal (wurtzite Structure) database
« Reply #2 on: January 9, 2017, 12:46 »
Thank you.