Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability

Hautier, Geoffroy; Ong, Shyue Ping; Jain, Anubhav; Moore, Charles J.; Ceder, Gerbrand

doi:10.1103/PhysRevB.85.155208

Title: Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability

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Authors:: Hautier, Geoffroy; Ong, Shyue Ping; Jain, Anubhav; Moore, Charles J.; Ceder, Gerbrand

Publication Date:: Mon Apr 30 00:00:00 EDT 2012

Sponsoring Org.:: USDOE

OSTI Identifier:: 1098837

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 85; Journal Issue: 15; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

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                    Hautier, Geoffroy, Ong, Shyue Ping, Jain, Anubhav, Moore, Charles J., and Ceder, Gerbrand. Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability.  United States: N. p., 2012. 
Web.  doi:10.1103/PhysRevB.85.155208.

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                    Hautier, Geoffroy, Ong, Shyue Ping, Jain, Anubhav, Moore, Charles J., & Ceder, Gerbrand. Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability.  United States.  https://doi.org/10.1103/PhysRevB.85.155208

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                    Hautier, Geoffroy, Ong, Shyue Ping, Jain, Anubhav, Moore, Charles J., and Ceder, Gerbrand. Mon .  
"Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability".  United States.  https://doi.org/10.1103/PhysRevB.85.155208.

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@article{osti_1098837,

  title        = {Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability},

  author       = {Hautier, Geoffroy and Ong, Shyue Ping and Jain, Anubhav and Moore, Charles J. and Ceder, Gerbrand},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.85.155208},

  journal      = {Physical Review B},

  number       = 15,

  volume       = 85,

  place        = {United States},

  year         = {Mon Apr 30 00:00:00 EDT 2012},

  month        = {Mon Apr 30 00:00:00 EDT 2012}

}

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