Materials Data on KNaSe by Materials Project

doi:10.17188/1664273

Title: Materials Data on KNaSe by Materials Project

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Abstract

KNaSe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. K1+ is bonded in a distorted q6 geometry to four equivalent Na1+ and six equivalent Se2- atoms. All K–Na bond lengths are 3.05 Å. All K–Se bond lengths are 3.52 Å. Na1+ is bonded in a body-centered cubic geometry to four equivalent K1+ and four equivalent Se2- atoms. All Na–Se bond lengths are 3.05 Å. Se2- is bonded in a 4-coordinate geometry to six equivalent K1+ and four equivalent Na1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-1100443

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; KNaSe; K-Na-Se

OSTI Identifier:: 1664273

DOI:: https://doi.org/10.17188/1664273

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                    The Materials Project. Materials Data on KNaSe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1664273.

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                    The Materials Project. Materials Data on KNaSe by Materials Project.  United States.  doi:https://doi.org/10.17188/1664273

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                    The Materials Project. 2020.  
"Materials Data on KNaSe by Materials Project".  United States.  doi:https://doi.org/10.17188/1664273.  https://www.osti.gov/servlets/purl/1664273. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1664273,

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

  author       = {The Materials Project},

  abstractNote = {KNaSe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. K1+ is bonded in a distorted q6 geometry to four equivalent Na1+ and six equivalent Se2- atoms. All K–Na bond lengths are 3.05 Å. All K–Se bond lengths are 3.52 Å. Na1+ is bonded in a body-centered cubic geometry to four equivalent K1+ and four equivalent Se2- atoms. All Na–Se bond lengths are 3.05 Å. Se2- is bonded in a 4-coordinate geometry to six equivalent K1+ and four equivalent Na1+ atoms.},

  doi          = {10.17188/1664273},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1664273

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