Materials Data on Eu(In4Rh)2 by Materials Project

doi:10.17188/1197265

Title: Materials Data on Eu(In4Rh)2 by Materials Project

Abstract

EuRh2In8 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to thirteen In atoms. There are a spread of Eu–In bond distances ranging from 3.41–3.81 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Rh–In bond distances ranging from 2.68–2.98 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Rh–In bond distances ranging from 2.65–2.93 Å. There are nine inequivalent In sites. In the first In site, In is bonded in a linear geometry to two equivalent Eu, two equivalent Rh, and four equivalent In atoms. All In–In bond lengths are 3.12 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Eu, two equivalent Rh, and eight In atoms. There are a spread of In–In bond distances ranging from 3.15–3.32 Å. In the third In site, In is bonded in a 2-coordinate geometry to two equivalent Eu, two equivalent Rh, and one In atom. The In–In bond length is 2.93 Å. Inmore »« less

Publication Date:: 2020-07-15

Other Number(s):: mp-21952

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; Eu(In4Rh)2; Eu-In-Rh

OSTI Identifier:: 1197265

DOI:: https://doi.org/10.17188/1197265

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                    The Materials Project. Materials Data on Eu(In4Rh)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197265.

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                    The Materials Project. Materials Data on Eu(In4Rh)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197265

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                    The Materials Project. 2020.  
"Materials Data on Eu(In4Rh)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197265.  https://www.osti.gov/servlets/purl/1197265. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1197265,

  title        = {Materials Data on Eu(In4Rh)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {EuRh2In8 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to thirteen In atoms. There are a spread of Eu–In bond distances ranging from 3.41–3.81 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Rh–In bond distances ranging from 2.68–2.98 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Rh–In bond distances ranging from 2.65–2.93 Å. There are nine inequivalent In sites. In the first In site, In is bonded in a linear geometry to two equivalent Eu, two equivalent Rh, and four equivalent In atoms. All In–In bond lengths are 3.12 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Eu, two equivalent Rh, and eight In atoms. There are a spread of In–In bond distances ranging from 3.15–3.32 Å. In the third In site, In is bonded in a 2-coordinate geometry to two equivalent Eu, two equivalent Rh, and one In atom. The In–In bond length is 2.93 Å. In the fourth In site, In is bonded in a 2-coordinate geometry to two equivalent Eu, two equivalent Rh, and one In atom. In the fifth In site, In is bonded in a 4-coordinate geometry to four equivalent Rh atoms. In the sixth In site, In is bonded in a 2-coordinate geometry to two equivalent Eu, two equivalent Rh, and one In atom. In the seventh In site, In is bonded in a 1-coordinate geometry to three Rh atoms. In the eighth In site, In is bonded in a 2-coordinate geometry to two equivalent Eu, two equivalent Rh, and three In atoms. In the ninth In site, In is bonded in a distorted linear geometry to two equivalent Eu, two Rh, and two equivalent In atoms.},

  doi          = {10.17188/1197265},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197265

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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)