QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: markmick on December 6, 2015, 06:16
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Is there an "open-source" cif or poscar model for 1T'-MoS2? 2H and 1T are easy to come by, but since 1T' is a distorted structure, I'm not clear how to create this from scratch.
Mark
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Looks like that structure is discussed here: http://www.researchgate.net/post/What_is_space_group_of_2x1_or_2x2_supercell_of_1T-MoS2_I_want_to_get_1T_phase_of_monolayer_MoS2_any_help_please2 (http://www.researchgate.net/post/What_is_space_group_of_2x1_or_2x2_supercell_of_1T-MoS2_I_want_to_get_1T_phase_of_monolayer_MoS2_any_help_please2)
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It has also been discussed before on the forum
http://quantumwise.com/forum/index.php?topic=3139
http://quantumwise.com/forum/index.php?topic=3764
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need help too