Materials Data on LiSn by Materials Project

doi:10.17188/1274920

Title: Materials Data on LiSn by Materials Project

Abstract

LiSn is beta-prime cadmium gold-like structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Li–Sn bond distances ranging from 3.00–3.10 Å. In the second Li site, Li is bonded in a distorted body-centered cubic geometry to eight Sn atoms. There are four shorter (3.05 Å) and four longer (3.07 Å) Li–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to eight Li atoms. In the second Sn site, Sn is bonded in a distorted body-centered cubic geometry to eight Li atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-569073

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; LiSn; Li-Sn

OSTI Identifier:: 1274920

DOI:: https://doi.org/10.17188/1274920

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                    The Materials Project. Materials Data on LiSn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274920.

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                    The Materials Project. Materials Data on LiSn by Materials Project.  United States.  doi:https://doi.org/10.17188/1274920

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                    The Materials Project. 2020.  
"Materials Data on LiSn by Materials Project".  United States.  doi:https://doi.org/10.17188/1274920.  https://www.osti.gov/servlets/purl/1274920. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1274920,

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

  author       = {The Materials Project},

  abstractNote = {LiSn is beta-prime cadmium gold-like structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Li–Sn bond distances ranging from 3.00–3.10 Å. In the second Li site, Li is bonded in a distorted body-centered cubic geometry to eight Sn atoms. There are four shorter (3.05 Å) and four longer (3.07 Å) Li–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to eight Li atoms. In the second Sn site, Sn is bonded in a distorted body-centered cubic geometry to eight Li atoms.},

  doi          = {10.17188/1274920},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274920

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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)