Materials Data on TbCoC by Materials Project

doi:10.17188/1197384

Title: Materials Data on TbCoC by Materials Project

Abstract

TbCoC crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Tb3+ is bonded to four equivalent C4- atoms to form a mixture of distorted corner and edge-sharing TbC4 tetrahedra. All Tb–C bond lengths are 2.52 Å. Co1+ is bonded in a linear geometry to two equivalent C4- atoms. Both Co–C bond lengths are 1.81 Å. C4- is bonded to four equivalent Tb3+ and two equivalent Co1+ atoms to form a mixture of corner and edge-sharing CTb4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°.

Authors:: Persson, Kristin

Contributors:

Researcher:

Project, Materials

Publication Date:: 2020-07-16

Other Number(s):: mp-22158

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; TbCoC; C-Co-Tb

OSTI Identifier:: 1197384

DOI:: 10.17188/1197384

Citation Formats


                    Persson, Kristin, and Project, Materials. Materials Data on TbCoC by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197384.

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                    Persson, Kristin, & Project, Materials. Materials Data on TbCoC by Materials Project.  United States.  doi:10.17188/1197384.

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                    Persson, Kristin, and Project, Materials. 2020.  
"Materials Data on TbCoC by Materials Project".  United States.  doi:10.17188/1197384.  https://www.osti.gov/servlets/purl/1197384. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1197384,

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

  author       = {Persson, Kristin and Project, Materials},

  abstractNote = {TbCoC crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Tb3+ is bonded to four equivalent C4- atoms to form a mixture of distorted corner and edge-sharing TbC4 tetrahedra. All Tb–C bond lengths are 2.52 Å. Co1+ is bonded in a linear geometry to two equivalent C4- atoms. Both Co–C bond lengths are 1.81 Å. C4- is bonded to four equivalent Tb3+ and two equivalent Co1+ atoms to form a mixture of corner and edge-sharing CTb4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°.},

  doi          = {10.17188/1197384},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: 10.17188/1197384

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The Materials Project

Persson, Kristin

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)