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) | |||||