Materials Data on LaNi3Rh2 by Materials Project

doi:10.17188/1350360

Title: Materials Data on LaNi3Rh2 by Materials Project

Abstract

LaRh2Ni3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a distorted hexagonal planar geometry to six equivalent Rh and twelve equivalent Ni atoms. All La–Rh bond lengths are 2.93 Å. All La–Ni bond lengths are 3.30 Å. Rh is bonded in a 12-coordinate geometry to three equivalent La and six equivalent Ni atoms. All Rh–Ni bond lengths are 2.56 Å. Ni is bonded to four equivalent La, four equivalent Rh, and four equivalent Ni atoms to form a mixture of distorted face, edge, and corner-sharing NiLa4Ni4Rh4 cuboctahedra. All Ni–Ni bond lengths are 2.54 Å.

Publication Date:: 2020-07-23

Other Number(s):: mp-1018743

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; LaNi3Rh2; La-Ni-Rh

OSTI Identifier:: 1350360

DOI:: 10.17188/1350360

Citation Formats


                    The Materials Project. Materials Data on LaNi3Rh2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350360.

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                    The Materials Project. Materials Data on LaNi3Rh2 by Materials Project.  United States.  doi:10.17188/1350360.

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                    The Materials Project. 2020.  
"Materials Data on LaNi3Rh2 by Materials Project".  United States.  doi:10.17188/1350360.  https://www.osti.gov/servlets/purl/1350360. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1350360,

  title        = {Materials Data on LaNi3Rh2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaRh2Ni3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a distorted hexagonal planar geometry to six equivalent Rh and twelve equivalent Ni atoms. All La–Rh bond lengths are 2.93 Å. All La–Ni bond lengths are 3.30 Å. Rh is bonded in a 12-coordinate geometry to three equivalent La and six equivalent Ni atoms. All Rh–Ni bond lengths are 2.56 Å. Ni is bonded to four equivalent La, four equivalent Rh, and four equivalent Ni atoms to form a mixture of distorted face, edge, and corner-sharing NiLa4Ni4Rh4 cuboctahedra. All Ni–Ni bond lengths are 2.54 Å.},

  doi          = {10.17188/1350360},

  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)