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Lr
ID Formula Solver Author Spacegroup Final Energy(eV/atom) Bandgap(eV)
TC00756 Sn32Se31As1 5.4.4.18Apr17-6-g9f103f2a35 Y.-L.L. 35/Cmm2 -28.16611eV 0.00040eV
TC00751 Sn32Se31Pb1 5.4.4.18Apr17-6-g9f103f2a35 Y.-L.L. 35/Cmm2 -29.02340eV 0.00260eV
TC00750 Sn32Se31Ge1 5.4.4.18Apr17-6-g9f103f2a35 Y.-L.L. 35/Cmm2 -28.13088eV 0.00040eV
TC00717 Sn31Se33 5.4.4.18Apr17-6-g9f103f2a35 Y.-L.L. 35/Cmm2 -27.91286eV 0.00980eV
TC00715 Sn32Se31Cd1 5.4.4.18Apr17-6-g9f103f2a35 Y.-L.L. 35/Cmm2 -28.31214eV 0.00100eV
TC00712 Sn31Se32Y1 5.4.4.18Apr17-6-g9f103f2a35 Y.-L.L. 35/Cmm2 -28.11432eV 0.00110eV
TC00711 Sn31Se32Cd1 5.4.4.18Apr17-6-g9f103f2a35 Y.-L.L. 35/Cmm2 -28.10324eV 0.00760eV
TC00710 Sn31Se32As1 5.4.4.18Apr17-6-g9f103f2a35 Y.-L.L. 35/Cmm2 -27.91952eV 0.00300eV
TC00709 Sn31Se32Pb1 5.4.4.18Apr17-6-g9f103f2a35 Y.-L.L. 35/Cmm2 -28.81667eV 0.23840eV
TC00708 Sn31Se32Ge1 5.4.4.18Apr17-6-g9f103f2a35 Y.-L.L. 35/Cmm2 -27.91792eV 0.58530eV
TC00704 Sn33Se31 5.4.4.18Apr17-6-g9f103f2a35 Y.-L.L. 35/Cmm2 -28.40008eV 0.01320eV
TC00703 Sn32Se31 5.4.4.18Apr17-6-g9f103f2a35 Y.-L.L. 35/Cmm2 -28.28559eV 0.01060eV
TC00702 Sn31Se32 5.4.4.18Apr17-6-g9f103f2a35 Y.-L.L. 35/Cmm2 -28.04640eV 0.00190eV
TC00701 Sn32Se32 5.4.4.18Apr17-6-g9f103f2a35 Y.-L.L. 63/Cmcm -28.18947eV 0.21830eV
TC00669 Sn31Se32Cd1 5.4.4.18Apr17-6-g9f103f2a35 Y.-L.L. 8/Cm -28.12137eV 0.77790eV
ID Formula Solver Author Spacegroup Final Energy(eV/atom) Bandgap(eV)