Materials Data on GaCuS2 by Materials Project

doi:10.17188/1263156

Title: Materials Data on GaCuS2 by Materials Project

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Abstract

CuGaS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with eight equivalent GaS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent GaS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Ga–S bond lengths are 2.32 Å. S2- is bonded to two equivalent Cu1+ and two equivalent Ga3+ atoms to form corner-sharing SGa2Cu2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-5238

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; GaCuS2; Cu-Ga-S

OSTI Identifier:: 1263156

DOI:: https://doi.org/10.17188/1263156

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                    The Materials Project. Materials Data on GaCuS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263156.

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                    The Materials Project. Materials Data on GaCuS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1263156

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                    The Materials Project. 2020.  
"Materials Data on GaCuS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1263156.  https://www.osti.gov/servlets/purl/1263156. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1263156,

  title        = {Materials Data on GaCuS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuGaS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with eight equivalent GaS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent GaS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Ga–S bond lengths are 2.32 Å. S2- is bonded to two equivalent Cu1+ and two equivalent Ga3+ atoms to form corner-sharing SGa2Cu2 tetrahedra.},

  doi          = {10.17188/1263156},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1263156

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