Materials Data on Li2BiS2 by Materials Project

doi:10.17188/1268434

Title: Materials Data on Li2BiS2 by Materials Project

Abstract

Li2BiS2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.37–2.50 Å. Bi2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Bi–S bond lengths are 2.84 Å. S2- is bonded in a 6-coordinate geometry to four equivalent Li1+ and two equivalent Bi2+ atoms.

Publication Date:: 2020-05-03

Other Number(s):: mp-754085

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; Li2BiS2; Bi-Li-S

OSTI Identifier:: 1268434

DOI:: 10.17188/1268434

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                    The Materials Project. Materials Data on Li2BiS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268434.

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                    The Materials Project. Materials Data on Li2BiS2 by Materials Project.  United States.  doi:10.17188/1268434.

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                    The Materials Project. 2020.  
"Materials Data on Li2BiS2 by Materials Project".  United States.  doi:10.17188/1268434.  https://www.osti.gov/servlets/purl/1268434. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1268434,

  title        = {Materials Data on Li2BiS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2BiS2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing LiS4 tetrahedra. There are a spread of Li–S bond distances ranging from 2.37–2.50 Å. Bi2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Bi–S bond lengths are 2.84 Å. S2- is bonded in a 6-coordinate geometry to four equivalent Li1+ and two equivalent Bi2+ atoms.},

  doi          = {10.17188/1268434},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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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)