| 排序 | 材料名称 | 带隙 | 计算方法 | CIF Download |
| 201 | C3N2H5Zn(BrO)3 | 3.29 | PBE | Download |
| 202 | C3N2H5Zn(ClO)3 | 3.96 | PBE | Download |
| 203 | C3N2H5Zn(SCN)3 | 5.35 | PBE | Download |
| 204 | C3N2H5ZnI3 | 3.95 | PBE | Download |
| 205 | C3N2H5ZnBr3 | 4.52 | PBE | Download |
| 206 | C3N2H5ZnCl3 | 5.18 | PBE | Download |
| 207 | C3N2H5ZnF3 | 6.32 | PBE | Download |
| 208 | C3N2H5Sn(IO)3 | 3.24 | PBE | Download |
| 209 | C3N2H5Sn(BrO)3 | 3.94 | PBE | Download |
| 210 | C3N2H5Sn(ClO)3 | 4.76 | PBE | Download |
| 211 | C3N2H5Sn(SCN)3 | 4.73 | PBE | Download |
| 212 | C3N2H5SnF3 | 5.80 | PBE | Download |
| 213 | C3N2H5Pb(IO)3 | 3.10 | PBE | Download |
| 214 | C3N2H5Pb(BrO)3 | 3.90 | PBE | Download |
| 215 | C3N2H5Pb(ClO)3 | 4.73 | PBE | Download |
| 216 | C3N2H5Pb(SCN)3 | 4.67 | PBE | Download |
| 217 | C3N2H5PbF3 | 6.72 | PBE | Download |
| 218 | C3N2H5Ge(IO)3 | 3.20 | PBE | Download |
| 219 | C3N2H5Ge(BrO)3 | 3.77 | PBE | Download |
| 220 | C3N2H5Ge(ClO)3 | 4.58 | PBE | Download |
| 221 | C3N2H5Ge(SCN)3 | 4.88 | PBE | Download |
| 222 | C3N2H5GeF3 | 5.17 | PBE | Download |
| 223 | (CH3)2CHNH3Zn(IO)3 | 2.88 | PBE | Download |
| 224 | (CH3)2CHNH3Zn(BrO)3 | 3.65 | PBE | Download |
| 225 | (CH3)2CHNH3Zn(ClO)3 | 4.48 | PBE | Download |
| 226 | (CH3)2CHNH3Zn(SCN)3 | 5.24 | PBE | Download |
| 227 | (CH3)2CHNH3ZnI3 | 4.90 | PBE | Download |
| 228 | (CH3)2CHNH3ZnBr3 | 5.64 | PBE | Download |
| 229 | (CH3)2CHNH3ZnCl3 | 6.11 | PBE | Download |
| 230 | (CH3)2CHNH3ZnF3 | 6.49 | PBE | Download |
| 231 | (CH3)2CHNH3Sn(IO)3 | 3.27 | PBE | Download |
| 232 | (CH3)2CHNH3Sn(BrO)3 | 3.92 | PBE | Download |
| 233 | (CH3)2CHNH3Sn(ClO)3 | 4.84 | PBE | Download |
| 234 | (CH3)2CHNH3Sn(SCN)3 | 4.98 | PBE | Download |
| 235 | (CH3)2CHNH3SnF3 | 6.96 | PBE | Download |
| 236 | (CH3)2CHNH3Pb(IO)3 | 3.22 | PBE | Download |
| 237 | (CH3)2CHNH3Pb(BrO)3 | 3.83 | PBE | Download |
| 238 | (CH3)2CHNH3Pb(ClO)3 | 4.66 | PBE | Download |
| 239 | (CH3)2CHNH3Pb(SCN)3 | 4.69 | PBE | Download |
| 240 | (CH3)2CHNH3PbF3 | 7.40 | PBE | Download |
| 241 | (CH3)2CHNH3Ge(IO)3 | 3.24 | PBE | Download |
| 242 | (CH3)2CHNH3Ge(BrO)3 | 3.84 | PBE | Download |
| 243 | (CH3)2CHNH3Ge(ClO)3 | 4.62 | PBE | Download |
| 244 | (CH3)2CHNH3Ge(SCN)3 | 5.11 | PBE | Download |
| 245 | (CH3)2CHNH3GeF3 | 7.03 | PBE | Download |
| 246 | (CH3)2NH2Zn(IO)3 | 2.86 | PBE | Download |
| 247 | (CH3)2NH2Zn(BrO)3 | 3.47 | PBE | Download |
| 248 | (CH3)2NH2Zn(ClO)3 | 4.03 | PBE | Download |
| 249 | (CH3)2NH2Zn(SCN)3 | 5.06 | PBE | Download |
| 250 | (CH3)2NH2ZnI3 | 5.09 | PBE | Download |
| 251 | (CH3)2NH2ZnBr3 | 5.92 | PBE | Download |
| 252 | (CH3)2NH2ZnCl3 | 6.41 | PBE | Download |
| 253 | (CH3)2NH2ZnF3 | 7.20 | PBE | Download |
| 254 | (CH3)2NH2Sn(IO)3 | 3.31 | PBE | Download |
| 255 | (CH3)2NH2Sn(BrO)3 | 4.04 | PBE | Download |
| 256 | (CH3)2NH2Sn(ClO)3 | 4.81 | PBE | Download |
| 257 | (CH3)2NH2Sn(SCN)3 | 4.95 | PBE | Download |
| 258 | (CH3)2NH2SnF3 | 6.90 | PBE | Download |
| 259 | (CH3)2NH2Pb(IO)3 | 3.20 | PBE | Download |
| 260 | (CH3)2NH2Pb(BrO)3 | 3.93 | PBE | Download |
| 261 | (CH3)2NH2Pb(ClO)3 | 4.69 | PBE | Download |
| 262 | (CH3)2NH2Pb(SCN)3 | 4.65 | PBE | Download |
| 263 | (CH3)2NH2PbF3 | 7.24 | PBE | Download |
| 264 | (CH3)2NH2Ge(IO)3 | 3.27 | PBE | Download |
| 265 | (CH3)2NH2Ge(BrO)3 | 3.91 | PBE | Download |
| 266 | (CH3)2NH2Ge(ClO)3 | 4.62 | PBE | Download |
| 267 | (CH3)2NH2Ge(SCN)3 | 5.08 | PBE | Download |
| 268 | (CH3)2NH2GeF3 | 7.22 | PBE | Download |
| 269 | NH2CHNH2Zn(IO)3 | 2.81 | PBE | Download |
| 270 | NH2CHNH2Zn(BrO)3 | 3.44 | PBE | Download |
| 271 | NH2CHNH2Zn(ClO)3 | 4.01 | PBE | Download |
| 272 | NH2CHNH2Zn(SCN)3 | 5.33 | PBE | Download |
| 273 | NH2CHNH2ZnI3 | 4.10 | PBE | Download |
| 274 | NH2CHNH2ZnBr3 | 4.64 | PBE | Download |
| 275 | NH2CHNH2ZnCl3 | 5.22 | PBE | Download |
| 276 | NH2CHNH2ZnF3 | 6.37 | PBE | Download |
| 277 | NH2CHNH2Sn(IO)3 | 3.23 | PBE | Download |
| 278 | NH2CHNH2Sn(BrO)3 | 3.93 | PBE | Download |
| 279 | NH2CHNH2Sn(ClO)3 | 4.58 | PBE | Download |
| 280 | NH2CHNH2Sn(SCN)3 | 4.93 | PBE | Download |
| 281 | NH2CHNH2SnF3 | 5.86 | PBE | Download |
| 282 | NH2CHNH2Pb(IO)3 | 3.16 | PBE | Download |
| 283 | NH2CHNH2Pb(BrO)3 | 3.84 | PBE | Download |
| 284 | NH2CHNH2Pb(ClO)3 | 4.55 | PBE | Download |
| 285 | NH2CHNH2Pb(SCN)3 | 4.71 | PBE | Download |
| 286 | NH2CHNH2PbF3 | 6.77 | PBE | Download |
| 287 | NH2CHNH2Ge(IO)3 | 3.20 | PBE | Download |
| 288 | NH2CHNH2Ge(BrO)3 | 3.90 | PBE | Download |
| 289 | NH2CHNH2Ge(ClO)3 | 4.81 | PBE | Download |
| 290 | NH2CHNH2Ge(SCN)3 | 5.10 | PBE | Download |
| 291 | NH2CHNH2GeF3 | 5.25 | PBE | Download |
| 292 | CH3NH3Zn(IO)3 | 2.88 | PBE | Download |
| 293 | CH3NH3Zn(BrO)3 | 3.45 | PBE | Download |
| 294 | CH3NH3Zn(ClO)3 | 4.03 | PBE | Download |
| 295 | CH3NH3Zn(SCN)3 | 5.22 | PBE | Download |
| 296 | CH3NH3ZnI3 | 4.88 | PBE | Download |
| 297 | CH3NH3ZnBr3 | 5.60 | PBE | Download |
| 298 | CH3NH3ZnCl3 | 6.08 | PBE | Download |
| 299 | CH3NH3ZnF3 | 6.46 | PBE | Download |
| 300 | CH3NH3Sn(IO)3 | 3.38 | PBE | Download |