MoS2

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Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-13
PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpegMoS2_1x1_ML Ben-Melech Stan, Gabrielavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 30 2017 11:30:11) complexSingle pointDFT---21.70600040; eV
thumbnail.jpegMoS2_3x3_double_S_vacancies Ben-Melech Stan, Gabrielavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 30 2017 11:30:11) complexSingle pointDFT---188.55283663; eV
thumbnail.jpegMoS2_3x3_S_vacancy Ben-Melech Stan, Gabrielavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 30 2017 11:30:11) complexSingle pointDFT---188.55283663; eV
thumbnail.jpegMoS2_5x5_S_vacancy Ben-Melech Stan, Gabrielavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 30 2017 11:30:11) complexSingle pointDFT---535.86388827; eV
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