Materials Data on Cr3PdN by Materials Project

doi:10.17188/1187049

Title: Materials Data on Cr3PdN by Materials Project

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Abstract

PdNCr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded in a linear geometry to four equivalent Pd and two equivalent N atoms. All Cr–Pd bond lengths are 2.72 Å. Both Cr–N bond lengths are 1.92 Å. Pd is bonded to twelve equivalent Cr atoms to form PdCr12 cuboctahedra that share corners with twelve equivalent PdCr12 cuboctahedra, faces with six equivalent PdCr12 cuboctahedra, and faces with eight equivalent NCr6 octahedra. N is bonded to six equivalent Cr atoms to form NCr6 octahedra that share corners with six equivalent NCr6 octahedra and faces with eight equivalent PdCr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-10373

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; Cr3PdN; Cr-N-Pd

OSTI Identifier:: 1187049

DOI:: https://doi.org/10.17188/1187049

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                    The Materials Project. Materials Data on Cr3PdN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187049.

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                    The Materials Project. Materials Data on Cr3PdN by Materials Project.  United States.  doi:https://doi.org/10.17188/1187049

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                    The Materials Project. 2020.  
"Materials Data on Cr3PdN by Materials Project".  United States.  doi:https://doi.org/10.17188/1187049.  https://www.osti.gov/servlets/purl/1187049. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187049,

  title        = {Materials Data on Cr3PdN by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PdNCr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded in a linear geometry to four equivalent Pd and two equivalent N atoms. All Cr–Pd bond lengths are 2.72 Å. Both Cr–N bond lengths are 1.92 Å. Pd is bonded to twelve equivalent Cr atoms to form PdCr12 cuboctahedra that share corners with twelve equivalent PdCr12 cuboctahedra, faces with six equivalent PdCr12 cuboctahedra, and faces with eight equivalent NCr6 octahedra. N is bonded to six equivalent Cr atoms to form NCr6 octahedra that share corners with six equivalent NCr6 octahedra and faces with eight equivalent PdCr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1187049},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187049

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