QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: meena on November 4, 2018, 08:36

Title: CrI3
Post by: meena on November 4, 2018, 08:36

How to build the structure of CrI3?
Does anyone has the .cif file of CrI3


Regards
Meena

Title: Re: CrI3
Post by: Petr Khomyakov on November 5, 2018, 09:42

Please try searching internal and external databases available through QuantumATK NanoLab GUI, see https://docs.quantumwise.com/tutorials/builder_manual/builder_import/builder_import.html for more details on how to do it.

Title: Re: CrI3
Post by: physics on October 25, 2023, 16:31

Hi,

Please provide the CIF file of monoclinic CrI3. The given CIF file on material project website is not providing result consistent with the reported papers.

Title: Re: CrI3
Post by: Anders Blom on November 3, 2023, 00:57

Which papers are you referring to? Do they contain lattice parameters and Wyckoff positions? If so, it's easy to recreate the structure using the Crystal Builder in NanoLab.