Materials Data on Ca by Materials Project

doi:10.17188/1674733

Title: Materials Data on Ca by Materials Project

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Abstract

Ca is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to twelve Ca atoms to form a mixture of edge, corner, and face-sharing CaCa12 cuboctahedra. There are six shorter (3.89 Å) and six longer (3.91 Å) Ca–Ca bond lengths. In the second Ca site, Ca is bonded to twelve Ca atoms to form a mixture of edge, corner, and face-sharing CaCa12 cuboctahedra. All Ca–Ca bond lengths are 3.89 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1183484

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; Ca; Ca

OSTI Identifier:: 1674733

DOI:: https://doi.org/10.17188/1674733

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                    The Materials Project. Materials Data on Ca by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1674733.

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                    The Materials Project. Materials Data on Ca by Materials Project.  United States.  doi:https://doi.org/10.17188/1674733

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                    The Materials Project. 2020.  
"Materials Data on Ca by Materials Project".  United States.  doi:https://doi.org/10.17188/1674733.  https://www.osti.gov/servlets/purl/1674733. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1674733,

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

  author       = {The Materials Project},

  abstractNote = {Ca is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to twelve Ca atoms to form a mixture of edge, corner, and face-sharing CaCa12 cuboctahedra. There are six shorter (3.89 Å) and six longer (3.91 Å) Ca–Ca bond lengths. In the second Ca site, Ca is bonded to twelve Ca atoms to form a mixture of edge, corner, and face-sharing CaCa12 cuboctahedra. All Ca–Ca bond lengths are 3.89 Å.},

  doi          = {10.17188/1674733},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1674733

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