Materials Data on BC by Materials Project

doi:10.17188/1268457

Title: Materials Data on BC by Materials Project

Abstract

BC1 is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. B3+ is bonded to four equivalent C3- atoms to form corner-sharing BC4 tetrahedra. There is one shorter (1.57 Å) and three longer (1.68 Å) B–C bond length. C3- is bonded to four equivalent B3+ atoms to form corner-sharing CB4 tetrahedra.

Publication Date:: 2020-07-20

Other Number(s):: mp-984728

DOE Contract Number:: AC02-05CH11231; EDCBEE

Product Type:: Dataset

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)

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; BC; B-C

OSTI Identifier:: 1268457

DOI:: https://doi.org/10.17188/1268457

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                    The Materials Project. Materials Data on BC by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268457.

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                    The Materials Project. Materials Data on BC by Materials Project.  United States.  doi:https://doi.org/10.17188/1268457

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                    The Materials Project. 2020.  
"Materials Data on BC by Materials Project".  United States.  doi:https://doi.org/10.17188/1268457.  https://www.osti.gov/servlets/purl/1268457. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1268457,

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

  author       = {The Materials Project},

  abstractNote = {BC1 is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. B3+ is bonded to four equivalent C3- atoms to form corner-sharing BC4 tetrahedra. There is one shorter (1.57 Å) and three longer (1.68 Å) B–C bond length. C3- is bonded to four equivalent B3+ atoms to form corner-sharing CB4 tetrahedra.},

  doi          = {10.17188/1268457},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1268457

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The Materials Project

Harnessing the power of supercomputing and state of the art electronic structure methods, the Materials Project provides open web-based access to computed information on known and predicted materials as well as powerful analysis tools to inspire and design novel materials. Experimental research can be targeted to the most promising compounds from computational data sets. Supercomputing clusters at national laboratories provide the infrastructure that enables computations, data, and algorithms to run at unparalleled speed. Researchers are be able to data-mine scientific trends in materials properties. By providing materials researchers with the information they need to design better, the Materials Project aimsmore »

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Research Org:	Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Argonne National Lab. (ANL), Argonne, IL (United States); University of Califorinia San Diego Supercomputing Center (SDSC), San Diego, CA (United States)
Sponsoring Org:	USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)