Materials Data on HfZrV4 by Materials Project

doi:10.17188/1705690

Title: Materials Data on HfZrV4 by Materials Project

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Abstract

HfZrV4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent V atoms. All Hf–Zr bond lengths are 3.18 Å. All Hf–V bond lengths are 3.04 Å. Zr is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent V atoms. All Zr–V bond lengths are 3.04 Å. V is bonded to three equivalent Hf, three equivalent Zr, and six equivalent V atoms to form a mixture of corner, edge, and face-sharing VHf3Zr3V6 cuboctahedra. There are three shorter (2.59 Å) and three longer (2.60 Å) V–V bond lengths.

Authors:: The Materials Project

Publication Date:: Tue May 05 00:00:00 EDT 2020

Other Number(s):: mp-1224085

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; HfZrV4; Hf-V-Zr

OSTI Identifier:: 1705690

DOI:: https://doi.org/10.17188/1705690

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                    The Materials Project. Materials Data on HfZrV4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1705690.

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                    The Materials Project. Materials Data on HfZrV4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705690

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                    The Materials Project. 2020.  
"Materials Data on HfZrV4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705690.  https://www.osti.gov/servlets/purl/1705690. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1705690,

  title        = {Materials Data on HfZrV4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HfZrV4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent V atoms. All Hf–Zr bond lengths are 3.18 Å. All Hf–V bond lengths are 3.04 Å. Zr is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent V atoms. All Zr–V bond lengths are 3.04 Å. V is bonded to three equivalent Hf, three equivalent Zr, and six equivalent V atoms to form a mixture of corner, edge, and face-sharing VHf3Zr3V6 cuboctahedra. There are three shorter (2.59 Å) and three longer (2.60 Å) V–V bond lengths.},

  doi          = {10.17188/1705690},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue May 05 00:00:00 EDT 2020},

  month        = {Tue May 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1705690

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