Materials Data on HfCuGeAs by Materials Project

doi:10.17188/1717008

Title: Materials Data on HfCuGeAs by Materials Project

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Abstract

HfCuGeAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Ge and four equivalent As atoms. All Hf–Ge bond lengths are 2.85 Å. All Hf–As bond lengths are 2.78 Å. Cu is bonded to four equivalent As atoms to form a mixture of distorted edge and corner-sharing CuAs4 cuboctahedra. All Cu–As bond lengths are 2.53 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.64 Å. As is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Cu atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-05

Other Number(s):: mp-1080723

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; HfCuGeAs; As-Cu-Ge-Hf

OSTI Identifier:: 1717008

DOI:: https://doi.org/10.17188/1717008

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                    The Materials Project. Materials Data on HfCuGeAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1717008.

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                    The Materials Project. Materials Data on HfCuGeAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1717008

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                    The Materials Project. 2020.  
"Materials Data on HfCuGeAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1717008.  https://www.osti.gov/servlets/purl/1717008. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1717008,

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

  author       = {The Materials Project},

  abstractNote = {HfCuGeAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Ge and four equivalent As atoms. All Hf–Ge bond lengths are 2.85 Å. All Hf–As bond lengths are 2.78 Å. Cu is bonded to four equivalent As atoms to form a mixture of distorted edge and corner-sharing CuAs4 cuboctahedra. All Cu–As bond lengths are 2.53 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.64 Å. As is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Cu atoms.},

  doi          = {10.17188/1717008},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1717008

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