Materials Data on Li3Co by Materials Project

doi:10.17188/1315520

Title: Materials Data on Li3Co by Materials Project

Dataset
Other Related Research

Abstract

Li3Co is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded in a distorted see-saw-like geometry to four equivalent Co atoms. All Li–Co bond lengths are 2.65 Å. Co is bonded to twelve equivalent Li atoms to form a mixture of corner and face-sharing CoLi12 cuboctahedra.

Publication Date:: Sat May 02 04:00:00 UTC 2020

Other Number(s):: mp-977165

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Co-Li; Li3Co; crystal structure

OSTI Identifier:: 1315520

DOI:: https://doi.org/10.17188/1315520

Citation Formats


                    Materials Data on Li3Co by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315520.

Copy to clipboard


                    Materials Data on Li3Co by Materials Project.  United States.  doi:https://doi.org/10.17188/1315520

Copy to clipboard


                    2020.  
"Materials Data on Li3Co by Materials Project".  United States.  doi:https://doi.org/10.17188/1315520.  https://www.osti.gov/servlets/purl/1315520. Pub date:Sat May 02 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1315520,

  title        = {Materials Data on Li3Co by Materials Project},

  
  abstractNote = {Li3Co is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded in a distorted see-saw-like geometry to four equivalent Co atoms. All Li–Co bond lengths are 2.65 Å. Co is bonded to twelve equivalent Li atoms to form a mixture of corner and face-sharing CoLi12 cuboctahedra.},

  doi          = {10.17188/1315520},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 04:00:00 UTC 2020},

  month        = {Sat May 02 04:00:00 UTC 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1315520

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Li3Co by Materials Project

Dataset

Li3Co is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Co atoms to form a mixture of distorted edge and corner-sharing LiCo4 cuboctahedra. All Li–Co bond lengths are 2.72 Å. In the second Li site, Li is bonded in a distorted square co-planar geometry to four equivalent Co atoms. All Li–Co bond lengths are 2.70 Å. Co is bonded to twelve Li atoms to form a mixture of face, edge, and corner-sharing CoLi12 cuboctahedra.
Materials Data on Li3Co(OF)2 by Materials Project

Dataset

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Li3Co(NO2)6 by Materials Project

Dataset

(Li(NO2)2)3Co crystallizes in the trigonal R-3m space group. The structure is three-dimensional and consists of three cobalt molecules and one Li(NO2)2 framework. In the Li(NO2)2 framework, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.01 Å) and three longer (2.30 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded in a 12-coordinate geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.43 Å. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Theremore »« less
Materials Data on Li3Co(PO4)2 by Materials Project

Dataset

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Li3Co(BO3)2 by Materials Project

Dataset

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Similar Records