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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Feb-2024/MASnX3/MASnBr3/Orthorhombic PBEsol-SOCEcheverria, Carlosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complexSingle pointDFT--109.50349884; eV
thumbnail.jpeg20-Feb-2024/MASnX3/MASnBr3/Orthorhombic PBEsolEcheverria, Carlosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complexGeometry optimizationDFT--109.24434968; eV
thumbnail.jpeg20-Feb-2024/CsSnX3/CsSnBr3/Cubic PBE-SOC-HSE06Echeverria, Carlosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complexSingle pointDFT--19.07981542; eV
thumbnail.jpeg20-Feb-2024/CsSnX3/CsSnBr3/Cubic PBE-HSE06Echeverria, Carlosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complexSingle pointDFT--18.82872549; eV
thumbnail.jpeg20-Feb-2024/FASnX3/FASnI3/Orthorhombic_Imm2 PBEsolEcheverria, Carlosvasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complexN/ADFT--466.30136064; eV
thumbnail.jpeg20-Feb-2024/MASnX3/MASnBr3/Cubic PBEsol-SOC-HSE06Echeverria, Carlosvasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complexN/ADFT--63.86680521; eV
thumbnail.jpeg20-Feb-2024/MASnX3/MASnBr3/Cubic PBEsol-SOCEcheverria, Carlosvasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complexN/ADFT--54.76275499; eV
thumbnail.jpeg20-Feb-2024/MASnX3/MASnBr3/Cubic PBEsolEcheverria, Carlosvasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complexN/ADFT--54.63997399; eV
thumbnail.jpeg20-Feb-2024/MASnX3/MASnI3/Cubic PBEsolEcheverria, Carlosvasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complexN/ADFT--53.02345942; eV
thumbnail.jpeg20-Feb-2024/FASnX3/FASnI3/Tetragonal_P4bm PBEsol-SOCEcheverria, Carlosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 10:02:23) complexSingle pointDFT--234.89140561; eV
Results 81471-81480 of 104124 (Search time: 0.056 seconds).