Materials Data on La(CuSn)2 by Materials Project

doi:10.17188/1279564

Title: Materials Data on La(CuSn)2 by Materials Project

Abstract

Cu2LaSn2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to eight Cu and eight Sn atoms. There are four shorter (3.40 Å) and four longer (3.48 Å) La–Cu bond lengths. There are four shorter (3.43 Å) and four longer (3.57 Å) La–Sn bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent La and five Sn atoms. There are one shorter (2.55 Å) and four longer (2.67 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.63 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent La and five Cu atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-636264

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; La(CuSn)2; Cu-La-Sn

OSTI Identifier:: 1279564

DOI:: 10.17188/1279564

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                    The Materials Project. Materials Data on La(CuSn)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279564.

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                    The Materials Project. Materials Data on La(CuSn)2 by Materials Project.  United States.  doi:10.17188/1279564.

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                    The Materials Project. 2020.  
"Materials Data on La(CuSn)2 by Materials Project".  United States.  doi:10.17188/1279564.  https://www.osti.gov/servlets/purl/1279564. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1279564,

  title        = {Materials Data on La(CuSn)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu2LaSn2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to eight Cu and eight Sn atoms. There are four shorter (3.40 Å) and four longer (3.48 Å) La–Cu bond lengths. There are four shorter (3.43 Å) and four longer (3.57 Å) La–Sn bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent La and five Sn atoms. There are one shorter (2.55 Å) and four longer (2.67 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.63 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent La and five Cu atoms.},

  doi          = {10.17188/1279564},

  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)