Materials Data on DyCuGe by Materials Project

doi:10.17188/1195186

Title: Materials Data on DyCuGe by Materials Project

Abstract

DyCuGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Ge atoms. There are three shorter (2.91 Å) and three longer (3.21 Å) Dy–Cu bond lengths. There are three shorter (2.95 Å) and three longer (3.17 Å) Dy–Ge bond lengths. Cu is bonded in a 6-coordinate geometry to six equivalent Dy and four equivalent Ge atoms. There are three shorter (2.51 Å) and one longer (3.15 Å) Cu–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Cu atoms.

Publication Date:: 2017-05-10

Other Number(s):: mp-20010

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; DyCuGe; Cu-Dy-Ge

OSTI Identifier:: 1195186

DOI:: https://doi.org/10.17188/1195186

Citation Formats


                    The Materials Project. Materials Data on DyCuGe by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1195186.

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                    The Materials Project. Materials Data on DyCuGe by Materials Project.  United States.  doi:https://doi.org/10.17188/1195186

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                    The Materials Project. 2017.  
"Materials Data on DyCuGe by Materials Project".  United States.  doi:https://doi.org/10.17188/1195186.  https://www.osti.gov/servlets/purl/1195186. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1195186,

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

  author       = {The Materials Project},

  abstractNote = {DyCuGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Ge atoms. There are three shorter (2.91 Å) and three longer (3.21 Å) Dy–Cu bond lengths. There are three shorter (2.95 Å) and three longer (3.17 Å) Dy–Ge bond lengths. Cu is bonded in a 6-coordinate geometry to six equivalent Dy and four equivalent Ge atoms. There are three shorter (2.51 Å) and one longer (3.15 Å) Cu–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Cu atoms.},

  doi          = {10.17188/1195186},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1195186

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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)