Materials Data on HoNiAs by Materials Project

doi:10.17188/1683163

Title: Materials Data on HoNiAs by Materials Project

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Abstract

HoNiAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing HoNi6As6 cuboctahedra. All Ho–Ni bond lengths are 2.93 Å. All Ho–As bond lengths are 3.07 Å. In the second Ho site, Ho is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing HoNi6As6 cuboctahedra. All Ho–Ni bond lengths are 3.13 Å. All Ho–As bond lengths are 2.98 Å. Ni is bonded in a 3-coordinate geometry to six Ho and three equivalent As atoms. All Ni–As bond lengths are 2.34 Å. As is bonded in a 3-coordinate geometry to six Ho and three equivalent Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1212066

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; HoNiAs; As-Ho-Ni

OSTI Identifier:: 1683163

DOI:: https://doi.org/10.17188/1683163

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                    The Materials Project. Materials Data on HoNiAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1683163.

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                    The Materials Project. Materials Data on HoNiAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1683163

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                    The Materials Project. 2020.  
"Materials Data on HoNiAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1683163.  https://www.osti.gov/servlets/purl/1683163. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1683163,

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

  author       = {The Materials Project},

  abstractNote = {HoNiAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing HoNi6As6 cuboctahedra. All Ho–Ni bond lengths are 2.93 Å. All Ho–As bond lengths are 3.07 Å. In the second Ho site, Ho is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing HoNi6As6 cuboctahedra. All Ho–Ni bond lengths are 3.13 Å. All Ho–As bond lengths are 2.98 Å. Ni is bonded in a 3-coordinate geometry to six Ho and three equivalent As atoms. All Ni–As bond lengths are 2.34 Å. As is bonded in a 3-coordinate geometry to six Ho and three equivalent Ni atoms.},

  doi          = {10.17188/1683163},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1683163

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