Materials Data on Er7Rh3 by Materials Project

doi:10.17188/1204999

Title: Materials Data on Er7Rh3 by Materials Project

Abstract

Er7Rh3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to three equivalent Rh atoms. There are two shorter (2.84 Å) and one longer (2.87 Å) Er–Rh bond lengths. In the second Er site, Er is bonded in a distorted water-like geometry to two equivalent Rh atoms. Both Er–Rh bond lengths are 2.80 Å. In the third Er site, Er is bonded in a 3-coordinate geometry to three equivalent Rh atoms. All Er–Rh bond lengths are 2.78 Å. Rh is bonded in a 6-coordinate geometry to six Er atoms.

Publication Date:: 2020-07-15

Other Number(s):: mp-30612

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; Er7Rh3; Er-Rh

OSTI Identifier:: 1204999

DOI:: 10.17188/1204999

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                    The Materials Project. Materials Data on Er7Rh3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204999.

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                    The Materials Project. Materials Data on Er7Rh3 by Materials Project.  United States.  doi:10.17188/1204999.

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                    The Materials Project. 2020.  
"Materials Data on Er7Rh3 by Materials Project".  United States.  doi:10.17188/1204999.  https://www.osti.gov/servlets/purl/1204999. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1204999,

  title        = {Materials Data on Er7Rh3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er7Rh3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to three equivalent Rh atoms. There are two shorter (2.84 Å) and one longer (2.87 Å) Er–Rh bond lengths. In the second Er site, Er is bonded in a distorted water-like geometry to two equivalent Rh atoms. Both Er–Rh bond lengths are 2.80 Å. In the third Er site, Er is bonded in a 3-coordinate geometry to three equivalent Rh atoms. All Er–Rh bond lengths are 2.78 Å. Rh is bonded in a 6-coordinate geometry to six Er atoms.},

  doi          = {10.17188/1204999},

  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)