Materials Data on Al2O by Materials Project

doi:10.17188/1282208

Title: Materials Data on Al2O by Materials Project

Dataset
Other Related Research

Abstract

Al2O is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Al is bonded to four equivalent O atoms to form a mixture of corner and edge-sharing AlO4 tetrahedra. All Al–O bond lengths are 2.46 Å. O is bonded in a body-centered cubic geometry to eight equivalent Al atoms.

Publication Date:: 2020-05-29

Other Number(s):: mp-8022

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; Al-O; Al2O; crystal structure

OSTI Identifier:: 1282208

DOI:: https://doi.org/10.17188/1282208

Citation Formats


                    Materials Data on Al2O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282208.

Copy to clipboard


                    Materials Data on Al2O by Materials Project.  United States.  doi:https://doi.org/10.17188/1282208

Copy to clipboard


                    2020.  
"Materials Data on Al2O by Materials Project".  United States.  doi:https://doi.org/10.17188/1282208.  https://www.osti.gov/servlets/purl/1282208. Pub date:Fri May 29 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1282208,

  title        = {Materials Data on Al2O by Materials Project},

  
  abstractNote = {Al2O is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Al is bonded to four equivalent O atoms to form a mixture of corner and edge-sharing AlO4 tetrahedra. All Al–O bond lengths are 2.46 Å. O is bonded in a body-centered cubic geometry to eight equivalent Al atoms.},

  doi          = {10.17188/1282208},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1282208

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Al2Os by Materials Project

Dataset

OsAl2 is Titanium Disilicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Os is bonded in a 10-coordinate geometry to ten equivalent Al atoms. There are eight shorter (2.62 Å) and two longer (2.82 Å) Os–Al bond lengths. Al is bonded in a 10-coordinate geometry to five equivalent Os and five equivalent Al atoms. There are four shorter (2.69 Å) and one longer (2.70 Å) Al–Al bond lengths.
Materials Data on Al2O 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 Al2O 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 Be by Materials Project

Dataset

Be is beta Np structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Be is bonded in a 11-coordinate geometry to eleven equivalent Be atoms. There are a spread of Be–Be bond distances ranging from 2.14–2.28 Å.
Materials Data on As by Materials Project

Dataset

As is alpha Po structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. As is bonded to six equivalent As atoms to form a mixture of edge and corner-sharing AsAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–As bond lengths are 2.74 Å.

Similar Records