Materials Data on AlGaN2 by Materials Project

doi:10.17188/1325074

Title: Materials Data on AlGaN2 by Materials Project

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Abstract

GaAlN2 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ga3+ is bonded to four equivalent N3- atoms to form GaN4 tetrahedra that share corners with four equivalent GaN4 tetrahedra and corners with eight equivalent AlN4 tetrahedra. All Ga–N bond lengths are 1.97 Å. Al3+ is bonded to four equivalent N3- atoms to form AlN4 tetrahedra that share corners with four equivalent AlN4 tetrahedra and corners with eight equivalent GaN4 tetrahedra. All Al–N bond lengths are 1.91 Å. N3- is bonded to two equivalent Ga3+ and two equivalent Al3+ atoms to form corner-sharing NAl2Ga2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-1008556

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; AlGaN2; Al-Ga-N

OSTI Identifier:: 1325074

DOI:: https://doi.org/10.17188/1325074

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                    The Materials Project. Materials Data on AlGaN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1325074.

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                    The Materials Project. Materials Data on AlGaN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1325074

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                    The Materials Project. 2020.  
"Materials Data on AlGaN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1325074.  https://www.osti.gov/servlets/purl/1325074. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1325074,

  title        = {Materials Data on AlGaN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {GaAlN2 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ga3+ is bonded to four equivalent N3- atoms to form GaN4 tetrahedra that share corners with four equivalent GaN4 tetrahedra and corners with eight equivalent AlN4 tetrahedra. All Ga–N bond lengths are 1.97 Å. Al3+ is bonded to four equivalent N3- atoms to form AlN4 tetrahedra that share corners with four equivalent AlN4 tetrahedra and corners with eight equivalent GaN4 tetrahedra. All Al–N bond lengths are 1.91 Å. N3- is bonded to two equivalent Ga3+ and two equivalent Al3+ atoms to form corner-sharing NAl2Ga2 tetrahedra.},

  doi          = {10.17188/1325074},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1325074

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