Materials Data on EuC2(SN)2 by Materials Project

doi:10.17188/1197404

Title: Materials Data on EuC2(SN)2 by Materials Project

Abstract

EuC2(NS)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent S2- atoms. There are two shorter (2.64 Å) and two longer (2.65 Å) Eu–N bond lengths. There are two shorter (3.13 Å) and two longer (3.24 Å) Eu–S bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.62 Å. N3- is bonded in a 1-coordinate geometry to two equivalent Eu2+ and one C4+ atom. S2- is bonded in a 1-coordinate geometry to two equivalent Eu2+ and one C4+ atom.

Authors:: Persson, Kristin

Contributors:

Researcher:

Project, Materials

Publication Date:: 2020-07-14

Other Number(s):: mp-22175

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; EuC2(SN)2; C-Eu-N-S

OSTI Identifier:: 1197404

DOI:: 10.17188/1197404

Citation Formats


                    Persson, Kristin, and Project, Materials. Materials Data on EuC2(SN)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197404.

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                    Persson, Kristin, & Project, Materials. Materials Data on EuC2(SN)2 by Materials Project.  United States.  doi:10.17188/1197404.

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                    Persson, Kristin, and Project, Materials. 2020.  
"Materials Data on EuC2(SN)2 by Materials Project".  United States.  doi:10.17188/1197404.  https://www.osti.gov/servlets/purl/1197404. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1197404,

  title        = {Materials Data on EuC2(SN)2 by Materials Project},

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

  abstractNote = {EuC2(NS)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent S2- atoms. There are two shorter (2.64 Å) and two longer (2.65 Å) Eu–N bond lengths. There are two shorter (3.13 Å) and two longer (3.24 Å) Eu–S bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.62 Å. N3- is bonded in a 1-coordinate geometry to two equivalent Eu2+ and one C4+ atom. S2- is bonded in a 1-coordinate geometry to two equivalent Eu2+ and one C4+ atom.},

  doi          = {10.17188/1197404},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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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)
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