Materials Data on Ce(P3Os)4 by Materials Project

doi:10.17188/1351439

Title: Materials Data on Ce(P3Os)4 by Materials Project

Abstract

Ce(OsP3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional and consists of two cerium molecules and one OsP3 framework. In the OsP3 framework, Os+1.75- is bonded to six equivalent P+0.33+ atoms to form corner-sharing OsP6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Os–P bond lengths are 2.37 Å. P+0.33+ is bonded in a bent 120 degrees geometry to two equivalent Os+1.75- atoms.

Publication Date:: 2020-07-17

Other Number(s):: mp-1021505

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; Ce(P3Os)4; Ce-Os-P

OSTI Identifier:: 1351439

DOI:: 10.17188/1351439

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                    The Materials Project. Materials Data on Ce(P3Os)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1351439.

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                    The Materials Project. Materials Data on Ce(P3Os)4 by Materials Project.  United States.  doi:10.17188/1351439.

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                    The Materials Project. 2020.  
"Materials Data on Ce(P3Os)4 by Materials Project".  United States.  doi:10.17188/1351439.  https://www.osti.gov/servlets/purl/1351439. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1351439,

  title        = {Materials Data on Ce(P3Os)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce(OsP3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional and consists of two cerium molecules and one OsP3 framework. In the OsP3 framework, Os+1.75- is bonded to six equivalent P+0.33+ atoms to form corner-sharing OsP6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Os–P bond lengths are 2.37 Å. P+0.33+ is bonded in a bent 120 degrees geometry to two equivalent Os+1.75- atoms.},

  doi          = {10.17188/1351439},

  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)