Materials Data on InGaN2 by Materials Project

doi:10.17188/1758327

Title: Materials Data on InGaN2 by Materials Project

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Abstract

InGaN2 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. In3+ is bonded to four N3- atoms to form InN4 tetrahedra that share corners with six equivalent InN4 tetrahedra and corners with six equivalent GaN4 tetrahedra. There are three shorter (2.13 Å) and one longer (2.20 Å) In–N bond lengths. Ga3+ is bonded to four N3- atoms to form GaN4 tetrahedra that share corners with six equivalent InN4 tetrahedra and corners with six equivalent GaN4 tetrahedra. There is one shorter (1.94 Å) and three longer (2.05 Å) Ga–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent In3+ and one Ga3+ atom to form corner-sharing NIn3Ga tetrahedra. In the second N3- site, N3- is bonded to one In3+ and three equivalent Ga3+ atoms to form corner-sharing NInGa3 tetrahedra.

Authors:: The Materials Project

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1223660

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; InGaN2; Ga-In-N

OSTI Identifier:: 1758327

DOI:: https://doi.org/10.17188/1758327

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                    The Materials Project. Materials Data on InGaN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758327.

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                    The Materials Project. Materials Data on InGaN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758327

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                    The Materials Project. 2020.  
"Materials Data on InGaN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758327.  https://www.osti.gov/servlets/purl/1758327. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758327,

  title        = {Materials Data on InGaN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {InGaN2 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. In3+ is bonded to four N3- atoms to form InN4 tetrahedra that share corners with six equivalent InN4 tetrahedra and corners with six equivalent GaN4 tetrahedra. There are three shorter (2.13 Å) and one longer (2.20 Å) In–N bond lengths. Ga3+ is bonded to four N3- atoms to form GaN4 tetrahedra that share corners with six equivalent InN4 tetrahedra and corners with six equivalent GaN4 tetrahedra. There is one shorter (1.94 Å) and three longer (2.05 Å) Ga–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent In3+ and one Ga3+ atom to form corner-sharing NIn3Ga tetrahedra. In the second N3- site, N3- is bonded to one In3+ and three equivalent Ga3+ atoms to form corner-sharing NInGa3 tetrahedra.},

  doi          = {10.17188/1758327},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1758327

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