Materials Data on LaMgRh by Materials Project

doi:10.17188/1274973

Title: Materials Data on LaMgRh by Materials Project

Abstract

MgLaRh crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to four Rh atoms. There are a spread of Mg–Rh bond distances ranging from 2.80–2.88 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to four Rh atoms. There are a spread of Mg–Rh bond distances ranging from 2.74–2.96 Å. There are two inequivalent La sites. In the first La site, La is bonded in a 5-coordinate geometry to five Rh atoms. There are four shorter (3.07 Å) and one longer (3.18 Å) La–Rh bond lengths. In the second La site, La is bonded in a 5-coordinate geometry to five Rh atoms. There are three shorter (3.07 Å) and two longer (3.15 Å) La–Rh bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to five Mg and four La atoms. In the second Rh site, Rh is bonded in a 9-coordinate geometry to three Mg and six La atoms.

Publication Date:: 2020-05-03

Other Number(s):: mp-569186

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; LaMgRh; La-Mg-Rh

OSTI Identifier:: 1274973

DOI:: https://doi.org/10.17188/1274973

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                    The Materials Project. Materials Data on LaMgRh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274973.

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                    The Materials Project. Materials Data on LaMgRh by Materials Project.  United States.  doi:https://doi.org/10.17188/1274973

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                    The Materials Project. 2020.  
"Materials Data on LaMgRh by Materials Project".  United States.  doi:https://doi.org/10.17188/1274973.  https://www.osti.gov/servlets/purl/1274973. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1274973,

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

  author       = {The Materials Project},

  abstractNote = {MgLaRh crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to four Rh atoms. There are a spread of Mg–Rh bond distances ranging from 2.80–2.88 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to four Rh atoms. There are a spread of Mg–Rh bond distances ranging from 2.74–2.96 Å. There are two inequivalent La sites. In the first La site, La is bonded in a 5-coordinate geometry to five Rh atoms. There are four shorter (3.07 Å) and one longer (3.18 Å) La–Rh bond lengths. In the second La site, La is bonded in a 5-coordinate geometry to five Rh atoms. There are three shorter (3.07 Å) and two longer (3.15 Å) La–Rh bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to five Mg and four La atoms. In the second Rh site, Rh is bonded in a 9-coordinate geometry to three Mg and six La atoms.},

  doi          = {10.17188/1274973},

  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)