Could anybody tell me the atom position of 1T-MoS2? I want to build the model of 1T-MoS2 for DFT calculations. Thanks a lot!
Hi Xiaorong,
You can check this supplemental file. https://images.nature.com/original/nature-assets/ncomms/2015/151007/ncomms9311/extref/ncomms9311-s1.pdf They have given the atomic positions for different phases of MoS2. Hope, it helps.
Mr. Gan,
You can use mercury (https://www.ccdc.cam.ac.uk/solutions/csd-system/components/mercury/).
Deya, Thank you !
Bojidarka, Thank you !
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