Materials Data on Ge2Sb2Te5 by Materials Project

doi:10.17188/1674531

Title: Materials Data on Ge2Sb2Te5 by Materials Project

Abstract

Ge2Sb2Te5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with two SbTe6 octahedra, corners with three GeTe6 octahedra, edges with three equivalent GeTe6 octahedra, and edges with six SbTe6 octahedra. The corner-sharing octahedra tilt angles range from 2–7°. There are a spread of Ge–Te bond distances ranging from 2.85–3.20 Å. In the second Ge4+ site, Ge4+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with two SbTe6 octahedra, corners with three GeTe6 octahedra, edges with three equivalent GeTe6 octahedra, and edges with six SbTe6 octahedra. The corner-sharing octahedra tilt angles range from 1–4°. There are a spread of Ge–Te bond distances ranging from 2.82–3.19 Å. There are two inequivalent Sb1+ sites. In the first Sb1+ site, Sb1+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with two GeTe6 octahedra, corners with three SbTe6 octahedra, edges with three equivalent SbTe6 octahedra, and edges with six GeTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are a spread of Sb–Te bond distancesmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1224407

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; Ge2Sb2Te5; Ge-Sb-Te

OSTI Identifier:: 1674531

DOI:: https://doi.org/10.17188/1674531

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                    The Materials Project. Materials Data on Ge2Sb2Te5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1674531.

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                    The Materials Project. Materials Data on Ge2Sb2Te5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1674531

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                    The Materials Project. 2020.  
"Materials Data on Ge2Sb2Te5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1674531.  https://www.osti.gov/servlets/purl/1674531. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1674531,

  title        = {Materials Data on Ge2Sb2Te5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ge2Sb2Te5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with two SbTe6 octahedra, corners with three GeTe6 octahedra, edges with three equivalent GeTe6 octahedra, and edges with six SbTe6 octahedra. The corner-sharing octahedra tilt angles range from 2–7°. There are a spread of Ge–Te bond distances ranging from 2.85–3.20 Å. In the second Ge4+ site, Ge4+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with two SbTe6 octahedra, corners with three GeTe6 octahedra, edges with three equivalent GeTe6 octahedra, and edges with six SbTe6 octahedra. The corner-sharing octahedra tilt angles range from 1–4°. There are a spread of Ge–Te bond distances ranging from 2.82–3.19 Å. There are two inequivalent Sb1+ sites. In the first Sb1+ site, Sb1+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with two GeTe6 octahedra, corners with three SbTe6 octahedra, edges with three equivalent SbTe6 octahedra, and edges with six GeTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are a spread of Sb–Te bond distances ranging from 2.98–3.20 Å. In the second Sb1+ site, Sb1+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with two GeTe6 octahedra, corners with three SbTe6 octahedra, edges with three equivalent SbTe6 octahedra, and edges with six GeTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of Sb–Te bond distances ranging from 2.95–3.19 Å. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two Ge4+ and three Sb1+ atoms to form TeGe2Sb3 square pyramids that share corners with six TeGe2Sb3 square pyramids and edges with seven TeGe3Sb2 square pyramids. In the second Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to two Ge4+ and two Sb1+ atoms. In the third Te2- site, Te2- is bonded to three Ge4+ and two Sb1+ atoms to form TeGe3Sb2 square pyramids that share corners with six TeGe3Sb2 square pyramids and edges with seven TeGe2Sb3 square pyramids. In the fourth Te2- site, Te2- is bonded to three Ge4+ and two Sb1+ atoms to form a mixture of corner and edge-sharing TeGe3Sb2 square pyramids. In the fifth Te2- site, Te2- is bonded to two Ge4+ and three Sb1+ atoms to form a mixture of corner and edge-sharing TeGe2Sb3 square pyramids.},

  doi          = {10.17188/1674531},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1674531

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Works referenced in this record:

Electrical, optical, and thermal properties of Sn-doped phase change material Ge2Sb2Te5
journal, August 2012

Singh, Gurinder; Kaura, Aman; Mukul, Monika
Journal of Materials Science, Vol. 48, Issue 1
https://doi.org/10.1007/s10853-012-6745-z

The phase-change kinetics of amorphous Ge2Sb2Te5 and device characteristics investigated by thin-film mechanics
journal, August 2015

Cho, Ju-Young; Kim, Dohyung; Park, Yong-Jin
Acta Materialia, Vol. 94
https://doi.org/10.1016/j.actamat.2015.04.058

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Title: Materials Data on Ge2Sb2Te5 by Materials Project

Abstract

Citation Formats

Electrical, optical, and thermal properties of Sn-doped phase change material Ge2Sb2Te5 journal, August 2012

The phase-change kinetics of amorphous Ge2Sb2Te5 and device characteristics investigated by thin-film mechanics journal, August 2015

Electrical, optical, and thermal properties of Sn-doped phase change material Ge2Sb2Te5
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