Materials Data on C11N4 by Materials Project

doi:10.17188/1651809

Title: Materials Data on C11N4 by Materials Project

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Abstract

C11N4 crystallizes in the tetragonal P-42m space group. The structure is two-dimensional and consists of six methane molecules and one C5N4 sheet oriented in the (0, 0, 1) direction. In the C5N4 sheet, there are two inequivalent C+1.09+ sites. In the first C+1.09+ site, C+1.09+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.50 Å. In the second C+1.09+ site, C+1.09+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All C–N bond lengths are 1.47 Å. N3- is bonded in a trigonal non-coplanar geometry to three C+1.09+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-1104073

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; C11N4; C-N

OSTI Identifier:: 1651809

DOI:: https://doi.org/10.17188/1651809

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                    The Materials Project. Materials Data on C11N4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651809.

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                    The Materials Project. Materials Data on C11N4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651809

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                    The Materials Project. 2020.  
"Materials Data on C11N4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651809.  https://www.osti.gov/servlets/purl/1651809. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1651809,

  title        = {Materials Data on C11N4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {C11N4 crystallizes in the tetragonal P-42m space group. The structure is two-dimensional and consists of six methane molecules and one C5N4 sheet oriented in the (0, 0, 1) direction. In the C5N4 sheet, there are two inequivalent C+1.09+ sites. In the first C+1.09+ site, C+1.09+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.50 Å. In the second C+1.09+ site, C+1.09+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All C–N bond lengths are 1.47 Å. N3- is bonded in a trigonal non-coplanar geometry to three C+1.09+ atoms.},

  doi          = {10.17188/1651809},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1651809

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