Materials Data on PuSn3 by Materials Project

doi:10.17188/1198979

Title: Materials Data on PuSn3 by Materials Project

Abstract

PuSn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu is bonded to twelve equivalent Sn atoms to form PuSn12 cuboctahedra that share corners with twelve equivalent PuSn12 cuboctahedra, edges with twenty-four equivalent SnPu4Sn8 cuboctahedra, faces with six equivalent PuSn12 cuboctahedra, and faces with twelve equivalent SnPu4Sn8 cuboctahedra. All Pu–Sn bond lengths are 3.24 Å. Sn is bonded to four equivalent Pu and eight equivalent Sn atoms to form distorted SnPu4Sn8 cuboctahedra that share corners with twelve equivalent SnPu4Sn8 cuboctahedra, edges with eight equivalent PuSn12 cuboctahedra, edges with sixteen equivalent SnPu4Sn8 cuboctahedra, faces with four equivalent PuSn12 cuboctahedra, and faces with fourteen equivalent SnPu4Sn8 cuboctahedra. All Sn–Sn bond lengths are 3.24 Å.

Publication Date:: 2020-07-15

Other Number(s):: mp-2279

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; PuSn3; Pu-Sn

OSTI Identifier:: 1198979

DOI:: 10.17188/1198979

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                    The Materials Project. Materials Data on PuSn3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1198979.

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                    The Materials Project. Materials Data on PuSn3 by Materials Project.  United States.  doi:10.17188/1198979.

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                    The Materials Project. 2020.  
"Materials Data on PuSn3 by Materials Project".  United States.  doi:10.17188/1198979.  https://www.osti.gov/servlets/purl/1198979. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1198979,

  title        = {Materials Data on PuSn3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PuSn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu is bonded to twelve equivalent Sn atoms to form PuSn12 cuboctahedra that share corners with twelve equivalent PuSn12 cuboctahedra, edges with twenty-four equivalent SnPu4Sn8 cuboctahedra, faces with six equivalent PuSn12 cuboctahedra, and faces with twelve equivalent SnPu4Sn8 cuboctahedra. All Pu–Sn bond lengths are 3.24 Å. Sn is bonded to four equivalent Pu and eight equivalent Sn atoms to form distorted SnPu4Sn8 cuboctahedra that share corners with twelve equivalent SnPu4Sn8 cuboctahedra, edges with eight equivalent PuSn12 cuboctahedra, edges with sixteen equivalent SnPu4Sn8 cuboctahedra, faces with four equivalent PuSn12 cuboctahedra, and faces with fourteen equivalent SnPu4Sn8 cuboctahedra. All Sn–Sn bond lengths are 3.24 Å.},

  doi          = {10.17188/1198979},

  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)