Materials Data on Li4Fe(TeO4)3 (SG:3) by Materials Project

doi:10.17188/1304170

Title: Materials Data on Li4Fe(TeO4)3 (SG:3) by Materials Project

Dataset
Other Related Research

Abstract

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

Authors:: The Materials Project

Publication Date:: 2016-04-22

Other Number(s):: mp-776188

DOE Contract Number:: AC02-05CH11231; EDCBEE

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)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Fe1 Li4 O12 Te3; Fe-Li-O-Te;

OSTI Identifier:: 1304170

DOI:: https://doi.org/10.17188/1304170

Citation Formats


                    The Materials Project. Materials Data on Li4Fe(TeO4)3 (SG:3) by Materials Project.  United States: N. p., 2016. 
        Web.  doi:10.17188/1304170.

Copy to clipboard


                    The Materials Project. Materials Data on Li4Fe(TeO4)3 (SG:3) by Materials Project.  United States.  doi:https://doi.org/10.17188/1304170

Copy to clipboard


                    The Materials Project. 2016.  
"Materials Data on Li4Fe(TeO4)3 (SG:3) by Materials Project".  United States.  doi:https://doi.org/10.17188/1304170.  https://www.osti.gov/servlets/purl/1304170. Pub date:Fri Apr 22 00:00:00 EDT 2016

Copy to clipboard


                    
@article{osti_1304170,

  title        = {Materials Data on Li4Fe(TeO4)3 (SG:3) by Materials Project},

  author       = {The Materials Project},

  abstractNote = {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},

  doi          = {10.17188/1304170},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2016},

  month        = {4}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1304170

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Li4Fe(TeO4)3 by Materials Project

Dataset The Materials Project

Li4Fe(TeO4)3 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.56 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.98–2.49 Å. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share a cornercorner withmore »« less
Materials Data on Li4Fe(TeO4)3 by Materials Project

Dataset The Materials Project

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 Li4Fe(SiO3)3 (SG:5) by Materials Project

Dataset The Materials Project

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 Li4Fe(WO4)3 (SG:1) by Materials Project

Dataset The Materials Project

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 LiV(TeO4)3 (SG:3) by Materials Project

Dataset The Materials Project

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