Materials Data on MgZrO3 by Materials Project

doi:10.17188/1349486

Title: Materials Data on MgZrO3 by Materials Project

Dataset
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Abstract

MgZrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one magnesium molecule and one ZrO3 framework. In the ZrO3 framework, Zr4+ is bonded to six equivalent O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–O bond lengths are 2.07 Å. O2- is bonded in a linear geometry to two equivalent Zr4+ atoms.

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

Other Number(s):: mp-1017000

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; Mg-O-Zr; MgZrO3; crystal structure

OSTI Identifier:: 1349486

DOI:: https://doi.org/10.17188/1349486

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                    Materials Data on MgZrO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1349486.

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                    Materials Data on MgZrO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1349486

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                    2020.  
"Materials Data on MgZrO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1349486.  https://www.osti.gov/servlets/purl/1349486. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1349486,

  title        = {Materials Data on MgZrO3 by Materials Project},

  
  abstractNote = {MgZrO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one magnesium molecule and one ZrO3 framework. In the ZrO3 framework, Zr4+ is bonded to six equivalent O2- atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–O bond lengths are 2.07 Å. O2- is bonded in a linear geometry to two equivalent Zr4+ atoms.},

  doi          = {10.17188/1349486},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

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

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

}

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DOI: https://doi.org/10.17188/1349486

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