Materials Data on LiMgSbPt by Materials Project

doi:10.17188/1276337

Title: Materials Data on LiMgSbPt by Materials Project

Abstract

LiMgPtSb crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Sb1- atoms to form corner-sharing LiSb4 tetrahedra. All Li–Sb bond lengths are 2.83 Å. Mg2+ is bonded to four equivalent Pt2- atoms to form corner-sharing MgPt4 tetrahedra. All Mg–Pt bond lengths are 2.83 Å. Pt2- is bonded in a distorted body-centered cubic geometry to four equivalent Mg2+ and four equivalent Sb1- atoms. All Pt–Sb bond lengths are 2.83 Å. Sb1- is bonded in a 8-coordinate geometry to four equivalent Li1+ and four equivalent Pt2- atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-571584

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; LiMgSbPt; Li-Mg-Pt-Sb

OSTI Identifier:: 1276337

DOI:: 10.17188/1276337

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                    The Materials Project. Materials Data on LiMgSbPt by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276337.

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                    The Materials Project. Materials Data on LiMgSbPt by Materials Project.  United States.  doi:10.17188/1276337.

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                    The Materials Project. 2020.  
"Materials Data on LiMgSbPt by Materials Project".  United States.  doi:10.17188/1276337.  https://www.osti.gov/servlets/purl/1276337. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1276337,

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

  author       = {The Materials Project},

  abstractNote = {LiMgPtSb crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Sb1- atoms to form corner-sharing LiSb4 tetrahedra. All Li–Sb bond lengths are 2.83 Å. Mg2+ is bonded to four equivalent Pt2- atoms to form corner-sharing MgPt4 tetrahedra. All Mg–Pt bond lengths are 2.83 Å. Pt2- is bonded in a distorted body-centered cubic geometry to four equivalent Mg2+ and four equivalent Sb1- atoms. All Pt–Sb bond lengths are 2.83 Å. Sb1- is bonded in a 8-coordinate geometry to four equivalent Li1+ and four equivalent Pt2- atoms.},

  doi          = {10.17188/1276337},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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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)