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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Aug-2018/slabs/segregation/ni5p4 layer10_Ni_93_P_177Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1282.35634024; eV
thumbnail.jpeg23-Aug-2018/slabs/segregation/ni5p4 layer9_Ni_93_P_196Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1282.33068413; eV
thumbnail.jpeg23-Aug-2018/slabs/segregation/ni5p4 layer9_Ni_19_P_196Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1282.53861438; eV
thumbnail.jpeg23-Aug-2018/slabs/segregation/ni5p4 layer8_Ni_93_P_195Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1283.49790512; eV
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