Materials Data on Y3H2 by Materials Project

doi:10.17188/1274906

Title: Materials Data on Y3H2 by Materials Project

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Abstract

Y3H2 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Y3H2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Y sites. In the first Y site, Y is bonded in a trigonal non-coplanar geometry to three equivalent H atoms. All Y–H bond lengths are 2.21 Å. In the second Y site, Y is bonded in a linear geometry to two equivalent H atoms. Both Y–H bond lengths are 2.26 Å. H is bonded to four Y atoms to form corner-sharing HY4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2017-07-18

Other Number(s):: mp-569037

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; Y3H2; H-Y

OSTI Identifier:: 1274906

DOI:: https://doi.org/10.17188/1274906

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                    The Materials Project. Materials Data on Y3H2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1274906.

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                    The Materials Project. Materials Data on Y3H2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274906

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                    The Materials Project. 2017.  
"Materials Data on Y3H2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274906.  https://www.osti.gov/servlets/purl/1274906. Pub date:Tue Jul 18 00:00:00 EDT 2017

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@article{osti_1274906,

  title        = {Materials Data on Y3H2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y3H2 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Y3H2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Y sites. In the first Y site, Y is bonded in a trigonal non-coplanar geometry to three equivalent H atoms. All Y–H bond lengths are 2.21 Å. In the second Y site, Y is bonded in a linear geometry to two equivalent H atoms. Both Y–H bond lengths are 2.26 Å. H is bonded to four Y atoms to form corner-sharing HY4 tetrahedra.},

  doi          = {10.17188/1274906},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274906

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