Materials Data on LiNiO2 by Materials Project

doi:10.17188/1279355

Title: Materials Data on LiNiO2 by Materials Project

Abstract

LiNiO2 crystallizes in the hexagonal P6/mmm space group. The structure is one-dimensional and consists of one LiNiO2 ribbon oriented in the (0, 0, 1) direction. Li1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.77 Å. Ni3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ni–O bond lengths are 1.69 Å. O2- is bonded in a linear geometry to one Li1+ and one Ni3+ atom.

Authors:: Persson, Kristin

Contributors:

Researcher:

Project, Materials

Publication Date:: 2020-05-03

Other Number(s):: mp-632864

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; LiNiO2; Li-Ni-O

OSTI Identifier:: 1279355

DOI:: 10.17188/1279355

Citation Formats


                    Persson, Kristin, and Project, Materials. Materials Data on LiNiO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279355.

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                    Persson, Kristin, & Project, Materials. Materials Data on LiNiO2 by Materials Project.  United States.  doi:10.17188/1279355.

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                    Persson, Kristin, and Project, Materials. 2020.  
"Materials Data on LiNiO2 by Materials Project".  United States.  doi:10.17188/1279355.  https://www.osti.gov/servlets/purl/1279355. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1279355,

  title        = {Materials Data on LiNiO2 by Materials Project},

  author       = {Persson, Kristin and Project, Materials},

  abstractNote = {LiNiO2 crystallizes in the hexagonal P6/mmm space group. The structure is one-dimensional and consists of one LiNiO2 ribbon oriented in the (0, 0, 1) direction. Li1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.77 Å. Ni3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ni–O bond lengths are 1.69 Å. O2- is bonded in a linear geometry to one Li1+ and one Ni3+ atom.},

  doi          = {10.17188/1279355},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: 10.17188/1279355

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The Materials Project

Persson, Kristin

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)