Materials Data on Eu2SeO2 by Materials Project

doi:10.17188/1268452

Title: Materials Data on Eu2SeO2 by Materials Project

Abstract

Eu2SeO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu3+ is bonded in a 4-coordinate geometry to three equivalent Se2- and four equivalent O2- atoms. All Eu–Se bond lengths are 3.11 Å. There are three shorter (2.34 Å) and one longer (2.38 Å) Eu–O bond lengths. Se2- is bonded in a 6-coordinate geometry to six equivalent Eu3+ atoms. O2- is bonded to four equivalent Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra.

Publication Date:: 2020-07-18

Other Number(s):: mp-754655

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; Eu2SeO2; Eu-O-Se

OSTI Identifier:: 1268452

DOI:: 10.17188/1268452

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                    The Materials Project. Materials Data on Eu2SeO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268452.

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                    The Materials Project. Materials Data on Eu2SeO2 by Materials Project.  United States.  doi:10.17188/1268452.

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                    The Materials Project. 2020.  
"Materials Data on Eu2SeO2 by Materials Project".  United States.  doi:10.17188/1268452.  https://www.osti.gov/servlets/purl/1268452. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1268452,

  title        = {Materials Data on Eu2SeO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu2SeO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu3+ is bonded in a 4-coordinate geometry to three equivalent Se2- and four equivalent O2- atoms. All Eu–Se bond lengths are 3.11 Å. There are three shorter (2.34 Å) and one longer (2.38 Å) Eu–O bond lengths. Se2- is bonded in a 6-coordinate geometry to six equivalent Eu3+ atoms. O2- is bonded to four equivalent Eu3+ atoms to form a mixture of edge and corner-sharing OEu4 tetrahedra.},

  doi          = {10.17188/1268452},

  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)