Materials Data on Er3AlC by Materials Project

doi:10.17188/1274184

Title: Materials Data on Er3AlC by Materials Project

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Abstract

Er3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Er–Al bond lengths are 3.41 Å. Both Er–C bond lengths are 2.41 Å. Al is bonded to twelve equivalent Er atoms to form AlEr12 cuboctahedra that share corners with twelve equivalent AlEr12 cuboctahedra, faces with six equivalent AlEr12 cuboctahedra, and faces with eight equivalent CEr6 octahedra. C is bonded to six equivalent Er atoms to form CEr6 octahedra that share corners with six equivalent CEr6 octahedra and faces with eight equivalent AlEr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-568021

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; Er3AlC; Al-C-Er

OSTI Identifier:: 1274184

DOI:: https://doi.org/10.17188/1274184

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                    The Materials Project. Materials Data on Er3AlC by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274184.

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                    The Materials Project. Materials Data on Er3AlC by Materials Project.  United States.  doi:https://doi.org/10.17188/1274184

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                    The Materials Project. 2020.  
"Materials Data on Er3AlC by Materials Project".  United States.  doi:https://doi.org/10.17188/1274184.  https://www.osti.gov/servlets/purl/1274184. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1274184,

  title        = {Materials Data on Er3AlC by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Er–Al bond lengths are 3.41 Å. Both Er–C bond lengths are 2.41 Å. Al is bonded to twelve equivalent Er atoms to form AlEr12 cuboctahedra that share corners with twelve equivalent AlEr12 cuboctahedra, faces with six equivalent AlEr12 cuboctahedra, and faces with eight equivalent CEr6 octahedra. C is bonded to six equivalent Er atoms to form CEr6 octahedra that share corners with six equivalent CEr6 octahedra and faces with eight equivalent AlEr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1274184},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274184

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