Materials Data on Ca3GeN by Materials Project

doi:10.17188/1188402

Title: Materials Data on Ca3GeN by Materials Project

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Abstract

Ca3GeN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Ge and two equivalent N atoms. All Ca–Ge bond lengths are 3.41 Å. Both Ca–N bond lengths are 2.41 Å. Ge is bonded to twelve equivalent Ca atoms to form GeCa12 cuboctahedra that share corners with twelve equivalent GeCa12 cuboctahedra, faces with six equivalent GeCa12 cuboctahedra, and faces with eight equivalent NCa6 octahedra. N is bonded to six equivalent Ca atoms to form NCa6 octahedra that share corners with six equivalent NCa6 octahedra and faces with eight equivalent GeCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-11822

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; Ca3GeN; Ca-Ge-N

OSTI Identifier:: 1188402

DOI:: https://doi.org/10.17188/1188402

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                    The Materials Project. Materials Data on Ca3GeN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188402.

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                    The Materials Project. Materials Data on Ca3GeN by Materials Project.  United States.  doi:https://doi.org/10.17188/1188402

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                    The Materials Project. 2020.  
"Materials Data on Ca3GeN by Materials Project".  United States.  doi:https://doi.org/10.17188/1188402.  https://www.osti.gov/servlets/purl/1188402. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1188402,

  title        = {Materials Data on Ca3GeN by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca3GeN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Ge and two equivalent N atoms. All Ca–Ge bond lengths are 3.41 Å. Both Ca–N bond lengths are 2.41 Å. Ge is bonded to twelve equivalent Ca atoms to form GeCa12 cuboctahedra that share corners with twelve equivalent GeCa12 cuboctahedra, faces with six equivalent GeCa12 cuboctahedra, and faces with eight equivalent NCa6 octahedra. N is bonded to six equivalent Ca atoms to form NCa6 octahedra that share corners with six equivalent NCa6 octahedra and faces with eight equivalent GeCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1188402},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1188402

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