Author Topic: CrI3  (Read 3035 times)

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Offline meena

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CrI3
« on: November 4, 2018, 08:36 »
How to build the structure of CrI3?
Does anyone has the .cif file of CrI3


Regards
Meena

Offline Petr Khomyakov

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Re: CrI3
« Reply #1 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.

Offline physics

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Re: CrI3
« Reply #2 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.

Offline Anders Blom

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Re: CrI3
« Reply #3 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.