Materials Data on C3N4 by Materials Project

doi:10.17188/1653025

Title: Materials Data on C3N4 by Materials Project

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Abstract

C3N4 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of two cyanide nitrogen molecules. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.17 Å) and one longer (1.36 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three equivalent C4+ atoms. In the second N3- site, N3- is bonded in a single-bond geometry to one C4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1182484

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; C3N4; C-N

OSTI Identifier:: 1653025

DOI:: https://doi.org/10.17188/1653025

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                    The Materials Project. Materials Data on C3N4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1653025.

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                    The Materials Project. Materials Data on C3N4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1653025

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                    The Materials Project. 2020.  
"Materials Data on C3N4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1653025.  https://www.osti.gov/servlets/purl/1653025. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1653025,

  title        = {Materials Data on C3N4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {C3N4 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of two cyanide nitrogen molecules. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.17 Å) and one longer (1.36 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three equivalent C4+ atoms. In the second N3- site, N3- is bonded in a single-bond geometry to one C4+ atom.},

  doi          = {10.17188/1653025},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1653025

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