Materials Data on TaSe2 by Materials Project

doi:10.17188/1187739

Title: Materials Data on TaSe2 by Materials Project

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Abstract

TaSe2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one TaSe2 sheet oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent Se2- atoms to form edge-sharing TaSe6 octahedra. All Ta–Se bond lengths are 2.61 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-30

Other Number(s):: mp-11324

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; TaSe2; Se-Ta

OSTI Identifier:: 1187739

DOI:: https://doi.org/10.17188/1187739

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                    The Materials Project. Materials Data on TaSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187739.

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                    The Materials Project. Materials Data on TaSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187739

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                    The Materials Project. 2020.  
"Materials Data on TaSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187739.  https://www.osti.gov/servlets/purl/1187739. Pub date:Sat May 30 00:00:00 EDT 2020

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@article{osti_1187739,

  title        = {Materials Data on TaSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TaSe2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one TaSe2 sheet oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent Se2- atoms to form edge-sharing TaSe6 octahedra. All Ta–Se bond lengths are 2.61 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms.},

  doi          = {10.17188/1187739},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1187739

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Materials Data on TaSe2 by Materials Project

Dataset The Materials Project

TaSe2 is Molybdenite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two TaSe2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing TaSe6 pentagonal pyramids. All Ta–Se bond lengths are 2.62 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms.
Materials Data on TaSe2 by Materials Project

Dataset The Materials Project

TaSe2 is Molybdenite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of four TaSe2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent Se2- atoms to form edge-sharing TaSe6 octahedra. All Ta–Se bond lengths are 2.61 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms.
Materials Data on TaSe2 by Materials Project

Dataset The Materials Project

TaSe2 is Molybdenite-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of six TaSe2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent Se2- atoms to form edge-sharing TaSe6 octahedra. All Ta–Se bond lengths are 2.61 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms.
Materials Data on TaSe2 by Materials Project

Dataset The Materials Project

TaSe2 is Molybdenite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of four TaSe2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing TaSe6 pentagonal pyramids. All Ta–Se bond lengths are 2.62 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms.
Materials Data on TaSe2 by Materials Project

Dataset The Materials Project

TaSe2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three TaSe2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent Se2- atoms to form edge-sharing TaSe6 octahedra. All Ta–Se bond lengths are 2.61 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms.

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