| 排序 | 材料名称 | 带隙 | 计算方法 | CIF Download |
| 1 | (C8H20N2)(MA)3Pb4l13 | 1.65 | PBE | Download |
| 2 | (C8H20N2)(MA)2Pb3l10 | 1.68 | PBE | Download |
| 3 | (C8H20N2)(MA)Pb2l7 | 1.74 | PBE | Download |
| 4 | (C8H20N2)Pbl4 | 1.91 | PBE | Download |
| 5 | (C8H20N2)(MA)3Pb4Br13 | 2.00 | PBE | Download |
| 6 | (C8H20N2)(MA)2Pb3Br10 | 2.04 | PBE | Download |
| 7 | (C8H20N2)(MA)Pb2Br7 | 2.15 | PBE | Download |
| 8 | (C8H20N2)PbBr4 | 2.34 | PBE | Download |
| 9 | (C8H20N2)(MA)3Pb4Cl13 | 2.56 | PBE | Download |
| 10 | (C8H20N2)(MA)2Pb3Cl10 | 2.64 | PBE | Download |
| 11 | (C8H20N2)(MA)Pb2Cl7 | 2.65 | PBE | Download |
| 12 | (C8H20N2)PbCl4 | 2.71 | PBE | Download |
| 13 | (C8H20N2)(MA)3Sn4l13 | 0.80 | PBE | Download |
| 14 | (C8H20N2)(MA)2Sn3l10 | 0.88 | PBE | Download |
| 15 | (C8H20N2)(MA)Sn2l7 | 0.93 | PBE | Download |
| 16 | (C8H20N2)Snl4 | 1.07 | PBE | Download |
| 17 | (C8H20N2)(MA)3Sn4Br13 | 1.40 | PBE | Download |
| 18 | (C8H20N2)(MA)2Sn3Br10 | 1.40 | PBE | Download |
| 19 | (C8H20N2)(MA)Sn2Br7 | 1.44 | PBE | Download |
| 20 | (C8H20N2)SnBr4 | 1.47 | PBE | Download |
| 21 | (C8H20N2)(MA)3Sn4Cl13 | 1.94 | PBE | Download |
| 22 | (C8H20N2)(MA)2Sn3Cl10 | 1.99 | PBE | Download |
| 23 | (C8H20N2)(MA)Sn2Cl7 | 2.09 | PBE | Download |
| 24 | (C8H20N2)SnCl4 | 2.39 | PBE | Download |
| 25 | (C8H20N2)(MA)3Ge4l13 | 1.20 | PBE | Download |
| 26 | (C8H20N2)(MA)2Ge3l10 | 1.48 | PBE | Download |
| 27 | (C8H20N2)(MA)Ge2l7 | 1.60 | PBE | Download |
| 28 | (C820N2)Gel4 | 1.71 | PBE | Download |
| 29 | (C8H20N2)(MA)3Ge4Br13 | 1.37 | PBE | Download |
| 30 | (C8H20N2)(MA)2Ge3Br10 | 1.60 | PBE | Download |
| 31 | (C8H20N2)(MA)Ge2Br7 | 1.89 | PBE | Download |
| 32 | (C8H20N2)GeBr4 | 2.08 | PBE | Download |
| 33 | (C8H20N2)(MA)3Ge4Cl13 | 1.98 | PBE | Download |
| 34 | (C8H20N2)(MA)2Ge3Cl10 | 2.31 | PBE | Download |
| 35 | (C8H20N2)(MA)Ge2Cl7 | 2.64 | PBE | Download |
| 36 | (C8H20N2)GeCl4 | 3.11 | PBE | Download |
| 37 | (C8H14N2)(MA)3Pb4l13 | 1.62 | PBE | Download |
| 38 | (C8H14N2)(MA)2Pb3l10 | 1.63 | PBE | Download |
| 39 | (C8H14N2)(MA)Pb2l7 | 1.68 | PBE | Download |
| 40 | (C8H14N2)Pbl4 | 1.94 | PBE | Download |
| 41 | (C8H14N2)(MA)3Pb4Br13 | 2.12 | PBE | Download |
| 42 | (C8H14N2)(MA)2Pb3Br10 | 2.12 | PBE | Download |
| 43 | (C8H14N2)(MA)Pb2Br7 | 2.18 | PBE | Download |
| 44 | (C8H14N2)PbBr4 | 2.35 | PBE | Download |
| 45 | (C8H14N2)(MA)3Pb4Cl13 | 2.47 | PBE | Download |
| 46 | (C8H14N2)(MA)2Pb3Cl10 | 2.47 | PBE | Download |
| 47 | (C8H14N2)(MA)Pb2Cl7 | 2.64 | PBE | Download |
| 48 | (C8H14N2)PbCl4 | 3.02 | PBE | Download |
| 49 | (C8H14N2)(MA)3Sn4l13 | 0.70 | PBE | Download |
| 50 | (C8H14N2)(MA)2Sn3l10 | 0.78 | PBE | Download |
| 51 | (C8H14N2)(MA)Sn2l7 | 0.81 | PBE | Download |
| 52 | (C8H14N2)Snl4 | 1.15 | PBE | Download |
| 53 | (C8H14N2)(MA)3Sn4Br13 | 1.06 | PBE | Download |
| 54 | (C8H14N2)(MA)2Sn3Br10 | 1.24 | PBE | Download |
| 55 | (C8H14N2)(MA)Sn2Br7 | 1.28 | PBE | Download |
| 56 | (C8H14N2)SnBr4 | 1.48 | PBE | Download |
| 57 | (C8H14N2)(MA)3Sn4Cl13 | 1.48 | PBE | Download |
| 58 | (C8H14N2)(MA)2Sn3Cl10 | 1.61 | PBE | Download |
| 59 | (C8H14N2)(MA)Sn2Cl7 | 1.78 | PBE | Download |
| 60 | (C8H14N2)SnCl4 | 2.44 | PBE | Download |
| 61 | (C8H14N2)(MA)3Ge4l13 | 0.93 | PBE | Download |
| 62 | (C8H14N2)(MA)2Ge3l10 | 1.03 | PBE | Download |
| 63 | (C8H14N2)(MA)Ge2l7 | 1.36 | PBE | Download |
| 64 | (C8H14N2)Gel4 | 1.73 | PBE | Download |
| 65 | (C8H14N2)(MA)3Ge4Br13 | 1.20 | PBE | Download |
| 66 | (C8H14N2)(MA)2Ge3Br10 | 1.57 | PBE | Download |
| 67 | (C8H14N2)(MA)Ge2Br7 | 1.98 | PBE | Download |
| 68 | (C8H14N2)GeBr4 | 2.25 | PBE | Download |
| 69 | (C8H14N2)(MA)3Ge4Cl13 | 1.87 | PBE | Download |
| 70 | (C8H14N2)(MA)2Ge3Cl10 | 2.39 | PBE | Download |
| 71 | (C8H14N2)(MA)Ge2Cl7 | 2.58 | PBE | Download |
| 72 | (C8H14N2)GeCl4 | 3.12 | PBE | Download |
| 73 | CH3(CH2)3NH3PbCl2Br | 2.77 | PBE | Download |
| 74 | CH3(CH2)3NH3PbBr2Cl | 2.78 | PBE | Download |
| 75 | CH3(CH2)3NH3PbI2Cl | 2.59 | PBE | Download |
| 76 | CH3(CH2)3NH3PbI2Br | 2.44 | PBE | Download |
| 77 | CH3(CH2)3NH3PbCl2I | 2.38 | PBE | Download |
| 78 | CH3(CH2)3NH3PbBr2I | 2.30 | PBE | Download |
| 79 | CH3(CH2)3NH3PbCl3 | 3.04 | PBE | Download |
| 80 | CH3(CH2)3NH3PbBr3 | 2.68 | PBE | Download |
| 81 | CH3(CH2)3NH3PbI3 | 2.31 | PBE | Download |
| 82 | CH3(CH2)3NH3SnCl2Br | 1.98 | PBE | Download |
| 83 | CH3(CH2)3NH3SnBr2Cl | 1.78 | PBE | Download |
| 84 | CH3(CH2)3NH3SnI2Cl | 1.96 | PBE | Download |
| 85 | CH3(CH2)3NH3SnI2Br | 1.65 | PBE | Download |
| 86 | CH3(CH2)3NH3SnCl2I | 1.81 | PBE | Download |
| 87 | CH3(CH2)3NH3SnBr2I | 1.51 | PBE | Download |
| 88 | CH3(CH2)3NH3SnCl3 | 2.00 | PBE | Download |
| 89 | CH3(CH2)3NH3SnBr3 | 1.68 | PBE | Download |
| 90 | CH3(CH2)3NH3SnI3 | 1.51 | PBE | Download |
| 91 | CH3(CH2)3NH3GeCl2Br | 1.75 | PBE | Download |
| 92 | CH3(CH2)3NH3GeBr2Cl | 2.81 | PBE | Download |
| 93 | CH3(CH2)3NH3GeI2Cl | 2.61 | PBE | Download |
| 94 | CH3(CH2)3NH3GeI2Br | 1.65 | PBE | Download |
| 95 | CH3(CH2)3NH3GeCl2I | 1.75 | PBE | Download |
| 96 | CH3(CH2)3NH3GeBr2I | 2.22 | PBE | Download |
| 97 | CH3(CH2)3NH3GeCl3 | 2.80 | PBE | Download |
| 98 | CH3(CH2)3NH3GeBr3 | 2.18 | PBE | Download |
| 99 | CH3(CH2)3NH3GeI3 | 1.53 | PBE | Download |
| 100 | CH3(CH2)2NH3PbCl2Br | 2.81 | PBE | Download |