Materials Data on In2AsSe by Materials Project

doi:10.17188/1678048

Title: Materials Data on In2AsSe by Materials Project

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Abstract

In2AsSe is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. In+2.50+ is bonded to two equivalent As3- and two equivalent Se2- atoms to form corner-sharing InAs2Se2 tetrahedra. Both In–As bond lengths are 2.74 Å. Both In–Se bond lengths are 2.81 Å. As3- is bonded to four equivalent In+2.50+ atoms to form AsIn4 tetrahedra that share corners with four equivalent AsIn4 tetrahedra and corners with eight equivalent SeIn4 tetrahedra. Se2- is bonded to four equivalent In+2.50+ atoms to form SeIn4 tetrahedra that share corners with four equivalent SeIn4 tetrahedra and corners with eight equivalent AsIn4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-05

Other Number(s):: mp-1223793

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; In2AsSe; As-In-Se

OSTI Identifier:: 1678048

DOI:: https://doi.org/10.17188/1678048

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                    The Materials Project. Materials Data on In2AsSe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678048.

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                    The Materials Project. Materials Data on In2AsSe by Materials Project.  United States.  doi:https://doi.org/10.17188/1678048

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                    The Materials Project. 2020.  
"Materials Data on In2AsSe by Materials Project".  United States.  doi:https://doi.org/10.17188/1678048.  https://www.osti.gov/servlets/purl/1678048. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1678048,

  title        = {Materials Data on In2AsSe by Materials Project},

  author       = {The Materials Project},

  abstractNote = {In2AsSe is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. In+2.50+ is bonded to two equivalent As3- and two equivalent Se2- atoms to form corner-sharing InAs2Se2 tetrahedra. Both In–As bond lengths are 2.74 Å. Both In–Se bond lengths are 2.81 Å. As3- is bonded to four equivalent In+2.50+ atoms to form AsIn4 tetrahedra that share corners with four equivalent AsIn4 tetrahedra and corners with eight equivalent SeIn4 tetrahedra. Se2- is bonded to four equivalent In+2.50+ atoms to form SeIn4 tetrahedra that share corners with four equivalent SeIn4 tetrahedra and corners with eight equivalent AsIn4 tetrahedra.},

  doi          = {10.17188/1678048},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1678048

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