Materials Data on NdZn11 by Materials Project

doi:10.17188/1205165

Title: Materials Data on NdZn11 by Materials Project

Abstract

NdZn11 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eighteen Zn atoms. There are eight shorter (3.28 Å) and ten longer (3.42 Å) Nd–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.80 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Nd and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.99 Å. In the third Zn site, Zn is bonded in a 6-coordinate geometry to two equivalent Nd and twelve Zn atoms.

Publication Date:: 2020-05-04

Other Number(s):: mp-30802

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; NdZn11; Nd-Zn

OSTI Identifier:: 1205165

DOI:: 10.17188/1205165

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                    The Materials Project. Materials Data on NdZn11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205165.

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                    The Materials Project. Materials Data on NdZn11 by Materials Project.  United States.  doi:10.17188/1205165.

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                    The Materials Project. 2020.  
"Materials Data on NdZn11 by Materials Project".  United States.  doi:10.17188/1205165.  https://www.osti.gov/servlets/purl/1205165. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1205165,

  title        = {Materials Data on NdZn11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdZn11 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eighteen Zn atoms. There are eight shorter (3.28 Å) and ten longer (3.42 Å) Nd–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.80 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Nd and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.99 Å. In the third Zn site, Zn is bonded in a 6-coordinate geometry to two equivalent Nd and twelve Zn atoms.},

  doi          = {10.17188/1205165},

  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)