Materials Data on LiZrSc by Materials Project

doi:10.17188/1279080

Title: Materials Data on LiZrSc by Materials Project

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Abstract

LiScZr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to six equivalent Sc and four equivalent Zr atoms. All Li–Sc bond lengths are 3.40 Å. All Li–Zr bond lengths are 2.95 Å. Sc is bonded in a distorted q6 geometry to six equivalent Li and four equivalent Zr atoms. All Sc–Zr bond lengths are 2.95 Å. Zr is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Sc atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-631338

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; LiZrSc; Li-Sc-Zr

OSTI Identifier:: 1279080

DOI:: https://doi.org/10.17188/1279080

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                    The Materials Project. Materials Data on LiZrSc by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279080.

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                    The Materials Project. Materials Data on LiZrSc by Materials Project.  United States.  doi:https://doi.org/10.17188/1279080

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                    The Materials Project. 2020.  
"Materials Data on LiZrSc by Materials Project".  United States.  doi:https://doi.org/10.17188/1279080.  https://www.osti.gov/servlets/purl/1279080. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1279080,

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

  author       = {The Materials Project},

  abstractNote = {LiScZr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to six equivalent Sc and four equivalent Zr atoms. All Li–Sc bond lengths are 3.40 Å. All Li–Zr bond lengths are 2.95 Å. Sc is bonded in a distorted q6 geometry to six equivalent Li and four equivalent Zr atoms. All Sc–Zr bond lengths are 2.95 Å. Zr is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Sc atoms.},

  doi          = {10.17188/1279080},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1279080

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