| 排序 | 材料名称 | 带隙 | 计算方法 | CIF Download |
| 401 | CH3(CH2)3NH3PbBr2Cl | 8.03 | PBE | Download |
| 402 | CH3(CH2)3NH3PbCl3 | 6.11 | PBE | Download |
| 403 | CH3(CH2)3NH3PbBr3 | 5.41 | PBE | Download |
| 404 | CH3(CH2)3NH3PbI3 | 4.48 | PBE | Download |
| 405 | CH3(CH2)3NH3SnI2Cl | 7.17 | PBE | Download |
| 406 | CH3(CH2)3NH3SnI2Br | 7.10 | PBE | Download |
| 407 | CH3(CH2)3NH3SnCl2I | 7.52 | PBE | Download |
| 408 | CH3(CH2)3NH3SnCl2Br | 7.89 | PBE | Download |
| 409 | CH3(CH2)3NH3SnBr2I | 7.34 | PBE | Download |
| 410 | CH3(CH2)3NH3SnBr2Cl | 7.77 | PBE | Download |
| 411 | CH3(CH2)3NH3SnCl3 | 5.95 | PBE | Download |
| 412 | CH3(CH2)3NH3SnBr3 | 5.48 | PBE | Download |
| 413 | CH3(CH2)3NH3SnI3 | 4.60 | PBE | Download |
| 414 | CH3(CH2)3NH3GeI2Cl | 7.06 | PBE | Download |
| 415 | CH3(CH2)3NH3GeI2Br | 6.95 | PBE | Download |
| 416 | CH3(CH2)3NH3GeCl2I | 7.48 | PBE | Download |
| 417 | CH3(CH2)3NH3GeCl2Br | 7.77 | PBE | Download |
| 418 | CH3(CH2)3NH3GeBr2I | 7.29 | PBE | Download |
| 419 | CH3(CH2)3NH3GeBr2Cl | 7.79 | PBE | Download |
| 420 | CH3(CH2)3NH3GeCl3 | 6.25 | PBE | Download |
| 421 | CH3(CH2)3NH3GeBr3 | 5.47 | PBE | Download |
| 422 | CH3(CH2)3NH3GeI3 | 4.45 | PBE | Download |
| 423 | CH3(CH2)2NH3PbI2Cl | 7.18 | PBE | Download |
| 424 | CH3(CH2)2NH3PbI2Br | 7.12 | PBE | Download |
| 425 | CH3(CH2)2NH3PbCl2I | 7.56 | PBE | Download |
| 426 | CH3(CH2)2NH3PbCl2Br | 8.26 | PBE | Download |
| 427 | CH3(CH2)2NH3PbBr2I | 7.42 | PBE | Download |
| 428 | CH3(CH2)2NH3PbBr2Cl | 8.10 | PBE | Download |
| 429 | CH3(CH2)2NH3PbCl3 | 6.13 | PBE | Download |
| 430 | CH3(CH2)2NH3PbBr3 | 5.41 | PBE | Download |
| 431 | CH3(CH2)2NH3PbI3 | 4.48 | PBE | Download |
| 432 | CH3(CH2)2NH3SnI2Cl | 7.17 | PBE | Download |
| 433 | CH3(CH2)2NH3SnI2Br | 7.11 | PBE | Download |
| 434 | CH3(CH2)2NH3SnCl2I | 7.46 | PBE | Download |
| 435 | CH3(CH2)2NH3SnCl2Br | 7.91 | PBE | Download |
| 436 | CH3(CH2)2NH3SnBr2I | 7.28 | PBE | Download |
| 437 | CH3(CH2)2NH3SnBr2Cl | 7.81 | PBE | Download |
| 438 | CH3(CH2)2NH3SnCl3 | 5.96 | PBE | Download |
| 439 | CH3(CH2)2NH3SnBr3 | 5.49 | PBE | Download |
| 440 | CH3(CH2)2NH3SnI3 | 4.60 | PBE | Download |
| 441 | CH3(CH2)2NH3GeI2Cl | 7.06 | PBE | Download |
| 442 | CH3(CH2)2NH3GeI2Br | 6.95 | PBE | Download |
| 443 | CH3(CH2)2NH3GeCl2I | 7.40 | PBE | Download |
| 444 | CH3(CH2)2NH3GeCl2Br | 8.03 | PBE | Download |
| 445 | CH3(CH2)2NH3GeBr2I | 7.20 | PBE | Download |
| 446 | CH3(CH2)2NH3GeBr2Cl | 7.95 | PBE | Download |
| 447 | CH3(CH2)2NH3GeCl3 | 6.25 | PBE | Download |
| 448 | CH3(CH2)2NH3GeBr3 | 5.48 | PBE | Download |
| 449 | CH3(CH2)2NH3GeI3 | 4.46 | PBE | Download |
| 450 | NH2CHOHPbI2Cl | 7.23 | PBE | Download |
| 451 | NH2CHOHPbI2Br | 7.18 | PBE | Download |
| 452 | NH2CHOHPbCl2I | 7.61 | PBE | Download |
| 453 | NH2CHOHPbCl2Br | 8.37 | PBE | Download |
| 454 | NH2CHOHPbBr2I | 7.45 | PBE | Download |
| 455 | NH2CHOHPbBr2Cl | 8.18 | PBE | Download |
| 456 | NH2CHOHPbCl3 | PBE | Download | |
| 457 | NH2CHOHPbBr3 | PBE | Download | |
| 458 | NH2CHOHPbI3 | PBE | Download | |
| 459 | NH2CHOHSnI2Cl | 7.21 | PBE | Download |
| 460 | NH2CHOHSnI2Br | 7.14 | PBE | Download |
| 461 | NH2CHOHSnCl2I | 7.60 | PBE | Download |
| 462 | NH2CHOHSnCl2Br | 8.03 | PBE | Download |
| 463 | NH2CHOHSnBr2I | 7.43 | PBE | Download |
| 464 | NH2CHOHSnBr2Cl | 7.84 | PBE | Download |
| 465 | NH2CHOHSnCl3 | PBE | Download | |
| 466 | NH2CHOHSnBr3 | PBE | Download | |
| 467 | NH2CHOHSnI3 | PBE | Download | |
| 468 | NH2CHOHGeI2Cl | 7.09 | PBE | Download |
| 469 | NH2CHOHGeI2Br | 6.99 | PBE | Download |
| 470 | NH2CHOHGeCl2I | 7.58 | PBE | Download |
| 471 | NH2CHOHGeCl2Br | 8.28 | PBE | Download |
| 472 | NH2CHOHGeBr2I | 7.35 | PBE | Download |
| 473 | NH2CHOHGeBr2Cl | 7.96 | PBE | Download |
| 474 | NH2CHOHGeCl3 | PBE | Download | |
| 475 | NH2CHOHGeBr3 | PBE | Download | |
| 476 | NH2CHOHGeI3 | PBE | Download | |
| 477 | CH(NH2)2PbI2Cl | 7.11 | PBE | Download |
| 478 | CH(NH2)2PbI2Br | 7.00 | PBE | Download |
| 479 | CH(NH2)2PbCl2I | 7.32 | PBE | Download |
| 480 | CH(NH2)2PbCl2Br | 7.82 | PBE | Download |
| 481 | CH(NH2)2PbBr2I | 7.21 | PBE | Download |
| 482 | CH(NH2)2PbBr2Cl | 7.72 | PBE | Download |
| 483 | CH(NH2)2PbCl3 | 5.36 | PBE | Download |
| 484 | CH(NH2)2PbBr3 | 5.06 | PBE | Download |
| 485 | CH(NH2)2PbI3 | 4.45 | PBE | Download |
| 486 | CH(NH2)2SnI2Cl | 6.69 | PBE | Download |
| 487 | CH(NH2)2SnI2Br | 6.64 | PBE | Download |
| 488 | CH(NH2)2SnCl2I | 6.80 | PBE | Download |
| 489 | CH(NH2)2SnCl2Br | 7.05 | PBE | Download |
| 490 | CH(NH2)2SnBr2I | 6.74 | PBE | Download |
| 491 | CH(NH2)2SnBr2Cl | 7.01 | PBE | Download |
| 492 | CH(NH2)2SnCl3 | 4.83 | PBE | Download |
| 493 | CH(NH2)2SnBr3 | 4.64 | PBE | Download |
| 494 | CH(NH2)2SnI3 | 4.25 | PBE | Download |
| 495 | CH(NH2)2GeI2Cl | 6.44 | PBE | Download |
| 496 | CH(NH2)2GeI2Br | 6.41 | PBE | Download |
| 497 | CH(NH2)2GeCl2I | 6.47 | PBE | Download |
| 498 | CH(NH2)2GeCl2Br | 6.69 | PBE | Download |
| 499 | CH(NH2)2GeBr2I | 6.48 | PBE | Download |
| 500 | CH(NH2)2GeBr2Cl | 6.72 | PBE | Download |