Materials Data on MoS2 by Materials Project

doi:10.17188/1356030

Title: Materials Data on MoS2 by Materials Project

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Abstract

MoS2 is Molybdenite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of three MoS2 sheets oriented in the (0, 0, 1) direction. Mo4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.42 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-1025874

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; MoS2; Mo-S

OSTI Identifier:: 1356030

DOI:: https://doi.org/10.17188/1356030

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                    The Materials Project. Materials Data on MoS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1356030.

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                    The Materials Project. Materials Data on MoS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1356030

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                    The Materials Project. 2020.  
"Materials Data on MoS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1356030.  https://www.osti.gov/servlets/purl/1356030. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1356030,

  title        = {Materials Data on MoS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MoS2 is Molybdenite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of three MoS2 sheets oriented in the (0, 0, 1) direction. Mo4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.42 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms.},

  doi          = {10.17188/1356030},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1356030

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