Materials Data on LiS by Materials Project

doi:10.17188/1206334

Title: Materials Data on LiS by Materials Project

Abstract

LiS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S1- atoms to form a mixture of edge and corner-sharing LiS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–S bond lengths are 2.51 Å. S1- is bonded to six equivalent Li1+ atoms to form a mixture of edge and corner-sharing SLi6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: Persson, Kristin

Contributors:

Researcher:

Project, Materials

Publication Date:: 2020-07-15

Other Number(s):: mp-32641

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; LiS; Li-S

OSTI Identifier:: 1206334

DOI:: 10.17188/1206334

Citation Formats


                    Persson, Kristin, and Project, Materials. Materials Data on LiS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206334.

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                    Persson, Kristin, & Project, Materials. Materials Data on LiS by Materials Project.  United States.  doi:10.17188/1206334.

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                    Persson, Kristin, and Project, Materials. 2020.  
"Materials Data on LiS by Materials Project".  United States.  doi:10.17188/1206334.  https://www.osti.gov/servlets/purl/1206334. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1206334,

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

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

  abstractNote = {LiS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S1- atoms to form a mixture of edge and corner-sharing LiS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–S bond lengths are 2.51 Å. S1- is bonded to six equivalent Li1+ atoms to form a mixture of edge and corner-sharing SLi6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1206334},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: 10.17188/1206334

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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)