Materials Data on GaCuTe2 by Materials Project

doi:10.17188/1207514

Title: Materials Data on GaCuTe2 by Materials Project

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Abstract

CuGaTe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra and corners with eight equivalent GaTe4 tetrahedra. All Cu–Te bond lengths are 2.59 Å. Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent GaTe4 tetrahedra and corners with eight equivalent CuTe4 tetrahedra. All Ga–Te bond lengths are 2.68 Å. Te2- is bonded to two equivalent Cu1+ and two equivalent Ga3+ atoms to form corner-sharing TeGa2Cu2 tetrahedra.

Publication Date:: 2020-07-14

Other Number(s):: mp-3839

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cu-Ga-Te; GaCuTe2; crystal structure

OSTI Identifier:: 1207514

DOI:: https://doi.org/10.17188/1207514

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                    Materials Data on GaCuTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207514.

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                    Materials Data on GaCuTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207514

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                    2020.  
"Materials Data on GaCuTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207514.  https://www.osti.gov/servlets/purl/1207514. Pub date:Tue Jul 14 04:00:00 UTC 2020

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@article{osti_1207514,

  title        = {Materials Data on GaCuTe2 by Materials Project},

  
  abstractNote = {CuGaTe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra and corners with eight equivalent GaTe4 tetrahedra. All Cu–Te bond lengths are 2.59 Å. Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent GaTe4 tetrahedra and corners with eight equivalent CuTe4 tetrahedra. All Ga–Te bond lengths are 2.68 Å. Te2- is bonded to two equivalent Cu1+ and two equivalent Ga3+ atoms to form corner-sharing TeGa2Cu2 tetrahedra.},

  doi          = {10.17188/1207514},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207514

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