Materials Data on BaNd by Materials Project

doi:10.17188/1316635

Title: Materials Data on BaNd by Materials Project

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Abstract

NdBa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ba is bonded to six equivalent Ba and six equivalent Nd atoms to form BaBa6Nd6 cuboctahedra that share corners with eighteen equivalent BaBa6Nd6 cuboctahedra, edges with six equivalent BaBa6Nd6 cuboctahedra, edges with twelve equivalent NdBa6Nd6 cuboctahedra, faces with eight equivalent BaBa6Nd6 cuboctahedra, and faces with twelve equivalent NdBa6Nd6 cuboctahedra. All Ba–Ba bond lengths are 3.96 Å. All Ba–Nd bond lengths are 4.01 Å. Nd is bonded to six equivalent Ba and six equivalent Nd atoms to form NdBa6Nd6 cuboctahedra that share corners with eighteen equivalent NdBa6Nd6 cuboctahedra, edges with six equivalent NdBa6Nd6 cuboctahedra, edges with twelve equivalent BaBa6Nd6 cuboctahedra, faces with eight equivalent NdBa6Nd6 cuboctahedra, and faces with twelve equivalent BaBa6Nd6 cuboctahedra. All Nd–Nd bond lengths are 3.96 Å.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-984827

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; BaNd; Ba-Nd

OSTI Identifier:: 1316635

DOI:: https://doi.org/10.17188/1316635

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                    The Materials Project. Materials Data on BaNd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316635.

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                    The Materials Project. Materials Data on BaNd by Materials Project.  United States.  doi:https://doi.org/10.17188/1316635

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                    The Materials Project. 2020.  
"Materials Data on BaNd by Materials Project".  United States.  doi:https://doi.org/10.17188/1316635.  https://www.osti.gov/servlets/purl/1316635. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1316635,

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

  author       = {The Materials Project},

  abstractNote = {NdBa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ba is bonded to six equivalent Ba and six equivalent Nd atoms to form BaBa6Nd6 cuboctahedra that share corners with eighteen equivalent BaBa6Nd6 cuboctahedra, edges with six equivalent BaBa6Nd6 cuboctahedra, edges with twelve equivalent NdBa6Nd6 cuboctahedra, faces with eight equivalent BaBa6Nd6 cuboctahedra, and faces with twelve equivalent NdBa6Nd6 cuboctahedra. All Ba–Ba bond lengths are 3.96 Å. All Ba–Nd bond lengths are 4.01 Å. Nd is bonded to six equivalent Ba and six equivalent Nd atoms to form NdBa6Nd6 cuboctahedra that share corners with eighteen equivalent NdBa6Nd6 cuboctahedra, edges with six equivalent NdBa6Nd6 cuboctahedra, edges with twelve equivalent BaBa6Nd6 cuboctahedra, faces with eight equivalent NdBa6Nd6 cuboctahedra, and faces with twelve equivalent BaBa6Nd6 cuboctahedra. All Nd–Nd bond lengths are 3.96 Å.},

  doi          = {10.17188/1316635},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316635

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