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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NaV2Bi3O10 | ICSD | 88455 | P1 (1) | ✗ | 16 | 140 | 3 | 1.6199 | 1.676 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Hf2SN2 | ICSD | 250914 | Immm (71) | ✔ | 5 | 40 | 3 | 1.62 | 1.644 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2NbCuSe4 | ICSD | 73324 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.6201 | 1.793 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2PdCl4 | COD | 1532216 | P4/mmm (123) | ✔ | 7 | 64 | 1 | 1.6208 | 1.621 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InTeBr | COD | 1524712 | P2_1/c (14) | ✔ | 12 | 104 | 2 | 1.6209 | 1.621 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Pd(SeCl3)2 | ICSD | 39435 | C2/c (15) | ✔ | 18 | 144 | 1 | 1.6214 | 1.627 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TeAuCl7 | COD | 7209382 | P-1 (2) | ✔ | 18 | 132 | 1 | 1.6215 | 1.787 | 0.000 | (0;000) | ✗ | 30/01/17 |
| SeBr | ICSD | 37019 | Cc2e (41) | ✗ | 8 | 52 | 1 | 1.6226 | 1.760 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiC | COD | 9000028 | R3m (160) | ✗ | 14 | 56 | 3 | 1.6226 | 2.836 | 0.000 | (0;000) | ✗ | 15/03/17 |
| SbSBr | ICSD | 88587 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.6228 | 1.792 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Tl2Hg2PdCl8 | ICSD | 203186 | C2/m (12) | ✔ | 13 | 124 | 1 | 1.6229 | 1.675 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Hg(AuF4)2 | COD | 1510401 | P4/mcc (124) | ✔ | 22 | 180 | 3 | 1.6236 | 1.625 | 0.000 | (0;000) | ✗ | 07/08/17 |
| VAg2AsO6 | ICSD | 425757 | P-1 (2) | ✔ | 20 | 152 | 3 | 1.624 | 1.635 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Cd(GaSe2)2 | ICSD | 619889 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.6245 | 1.625 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2O2 | COD | 1514089 | P6_3/mmc (194) | ✔ | 8 | 36 | 1 | 1.6247 | 1.625 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsCu3S2 | ICSD | 23326 | P-3m1 (164) | ✔ | 6 | 54 | 2 | 1.6265 | 2.016 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ICl | COD | 9008992 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 1.6268 | 1.696 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Nb2Tl5S4Br9 | ICSD | 418796 | Immm (71) | ✔ | 20 | 178 | 2 | 1.627 | 1.638 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr2PbO4 | COD | 1528937 | Pbam (55) | ✔ | 14 | 116 | 1 | 1.6272 | 1.816 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cd(GaS2)2 | ICSD | 2286 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.628 | 1.628 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb6Br4O | ICSD | 411955 | R-3c (167) | ✔ | 22 | 176 | 1 | 1.6305 | 1.631 | 0.000 | (0;000) | ✗ | 07/08/17 |
| K2NaAlP2 | ICSD | 73279 | Ibam (72) | ✔ | 12 | 80 | 1 | 1.6306 | 1.898 | 0.000 | (0;000) | ✗ | 30/01/17 |
| AgN3 | COD | 4307489 | P2_1/c (14) | ✔ | 16 | 104 | 3 | 1.6308 | 1.831 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BiPPbO5 | ICSD | 419125 | P-1 (2) | ✔ | 16 | 128 | 3 | 1.6308 | 1.743 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg(SbO3)2 | COD | 9015308 | P4_2/mnm (136) | ✔ | 18 | 112 | 3 | 1.632 | 1.632 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Tl2TeBr6 | ICSD | 99127 | P4/mnc (128) | ✔ | 18 | 148 | 1 | 1.6322 | 1.833 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Bi2O3 | ICSD | 168815 | Pnab (60) | ✔ | 20 | 112 | 3 | 1.6331 | 1.633 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NbCu3S4 | ICSD | 628472 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.6338 | 2.075 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr2VN3 | ICSD | 80176 | C2/c (15) | ✔ | 24 | 192 | 1 | 1.6347 | 1.643 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Hg2P2O7 | COD | 2006377 | P-1 (2) | ✔ | 22 | 152 | 3 | 1.635 | 2.154 | 0.000 | (0;000) | ✗ | 07/08/17 |
| NbCu3S4 | ICSD | 628466 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.635 | 2.077 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca2PI | ICSD | 65217 | R-3m (166) | ✔ | 4 | 32 | 1 | 1.6369 | 1.930 | 0.000 | (0;000) | ✗ | 21/03/17 |
| K2SnO3 | ICSD | 24131 | Pnma (62) | ✔ | 24 | 200 | 2 | 1.6375 | 1.638 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Hg2TeO3 | ICSD | 203064 | P2cm (28) | ✗ | 12 | 96 | 3 | 1.6381 | 2.000 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd3(BO3)2 | COD | 2212013 | Pnnm (58) | ✔ | 22 | 156 | 3 | 1.639 | 1.639 | 0.000 | (0;000) | ✗ | 07/08/17 |
| PtCI2O | ICSD | 68098 | C2/c (15) | ✔ | 20 | 136 | 2 | 1.6393 | 1.719 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaC2 | ICSD | 74665 | I4/mmm (139) | ✔ | 3 | 18 | 1 | 1.6401 | 2.615 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba(GaSe2)2 | ICSD | 24386 | Cccm (66) | ✔ | 14 | 120 | 1 | 1.6402 | 1.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NbCu3S4 | ICSD | 170784 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.6403 | 2.085 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeSe2 | ICSD | 637858 | Fdd2 (43) | ✗ | 18 | 96 | 3 | 1.6404 | 1.722 | 0.000 | (0;000) | ✗ | 22/03/17 |
| AlTeI7 | ICSD | 401395 | Pc (7) | ✗ | 18 | 116 | 1 | 1.6408 | 1.786 | 0.000 | (0;000) | ✗ | 16/03/17 |
| TaTl3Se4 | ICSD | 651969 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.6427 | 1.786 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Pt(SCl3)2 | ICSD | 66013 | P-1 (2) | ✔ | 9 | 64 | 1 | 1.6439 | 1.676 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2Sn2S5 | ICSD | 72378 | C2/c (15) | ✔ | 18 | 152 | 3 | 1.6448 | 1.893 | 0.000 | (0;000) | ✗ | 02/02/17 |
| C2S3 | COD | 7006523 | P2_1/c (14) | ✔ | 20 | 104 | 1 | 1.647 | 1.649 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TaTl3Se4 | ICSD | 600250 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.6479 | 1.783 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li8SeN2 | ICSD | 247255 | I4_1md (109) | ✗ | 22 | 80 | 1 | 1.648 | 1.648 | 0.000 | (0;000) | ✗ | 04/08/17 |
| C4S5O | COD | 2233890 | Pc (7) | ✗ | 20 | 104 | 1 | 1.6485 | 1.711 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CsAu3S2 | COD | 1510489 | P-3m1 (164) | ✔ | 6 | 54 | 2 | 1.6491 | 1.649 | 0.000 | (0;000) | ✗ | 05/01/17 |
| TaTl3Se4 | ICSD | 52431 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.6512 | 1.781 | 0.000 | (0;000) | ✗ | 06/10/16 |
| In2GaBiS6 | ICSD | 410032 | P2_1/m (11) | ✔ | 20 | 180 | 3 | 1.6515 | 1.723 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Nb3AgO8 | COD | 7209349 | Ibam (72) | ✔ | 24 | 196 | 3 | 1.6519 | 1.652 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaAuF4 | COD | 1510141 | I4/mcm (140) | ✔ | 12 | 96 | 1 | 1.6526 | 1.659 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KClO4 | COD | 1010568 | F-43m (216) | ✗ | 6 | 40 | 1 | 1.6538 | 1.654 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Na4RuH6 | ICSD | 638362 | R-3c (167) | ✔ | 22 | 116 | 1 | 1.6539 | 1.654 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KBi(PS3)2 | COD | 8100356 | P2_1 (4) | ✗ | 20 | 140 | 2 | 1.6544 | 1.819 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cs2PdCl4 | COD | 1532214 | Cmcm (63) | ✔ | 14 | 128 | 1 | 1.6548 | 1.655 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2NbCuSe4 | ICSD | 84305 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.6556 | 1.888 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2AgSbS4 | ICSD | 55367 | P-1 (2) | ✔ | 16 | 116 | 1 | 1.6561 | 1.709 | 0.000 | (0;000) | ✗ | 30/01/17 |
| TlGeI3 | ICSD | 201144 | Pnma (62) | ✔ | 20 | 152 | 2 | 1.6566 | 1.729 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zn2IN | ICSD | 425735 | Pnma (62) | ✔ | 16 | 144 | 3 | 1.6574 | 1.693 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdPS3 | ICSD | 620232 | C2/m (12) | ✔ | 10 | 70 | 2 | 1.6575 | 1.969 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbI3 | ICSD | 61348 | Pnma (62) | ✔ | 16 | 120 | 1 | 1.6576 | 1.668 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaNbO3 | COD | 2002944 | P4/mbm (127) | ✔ | 10 | 80 | 3 | 1.6578 | 1.782 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba2BiSbO6 | COD | 2100575 | Fm-3m (225) | ✔ | 10 | 76 | 3 | 1.6586 | 2.757 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KAl(SO4)2 | COD | 1011235 | P321 (150) | ✗ | 12 | 72 | 2 | 1.6616 | 1.732 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CdI2 | ICSD | 42210 | P3m1 (156) | ✗ | 18 | 156 | 1 | 1.6622 | 1.903 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Tl4CdI6 | COD | 4510235 | P4/mnc (128) | ✔ | 22 | 212 | 3 | 1.6639 | 1.664 | 0.000 | (0;000) | ✗ | 07/08/17 |
| HCI3 | COD | 5900001 | P6_3 (173) | ✗ | 10 | 52 | 1 | 1.6658 | 1.794 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CuBS2 | ICSD | 156413 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.6658 | 1.666 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Cs2NbCuSe4 | ICSD | 84306 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.6663 | 2.025 | 0.000 | (0;000) | ✗ | 22/03/17 |
| MgSe | COD | 9008673 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 1.6665 | 2.469 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cd2PCl2 | ICSD | 412647 | P2_1/c (14) | ✔ | 20 | 172 | 3 | 1.6678 | 1.668 | 0.000 | (0;000) | ✗ | 02/02/17 |
| IrCl3 | ICSD | 25716 | Fddd (70) | ✔ | 16 | 152 | 3 | 1.6687 | 1.699 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbAuSe | COD | 8103428 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.6696 | 1.949 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KMgP | ICSD | 641231 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.6702 | 1.715 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Tl4PbI6 | COD | 7221245 | Pbam (55) | ✔ | 22 | 216 | 3 | 1.6709 | 1.674 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Be4TeO7 | COD | 2106455 | F-43m (216) | ✗ | 12 | 64 | 1 | 1.6716 | 1.672 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TiPbO3 | COD | 9011193 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 1.6718 | 1.692 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb3BP2 | COD | 8103471 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.6726 | 2.002 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ga2TeSe2 | ICSD | 64617 | I4_1md (109) | ✗ | 10 | 88 | 3 | 1.673 | 1.679 | 0.000 | (0;000) | ✗ | 07/10/16 |
| K2SnBr6 | ICSD | 35557 | P2_1/c (14) | ✔ | 18 | 148 | 1 | 1.6747 | 1.675 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BCl(OF2)2 | ICSD | 60080 | Cc (9) | ✗ | 16 | 100 | 1 | 1.6747 | 1.684 | 0.000 | (0;000) | ✗ | 21/03/17 |
| S | COD | 9014401 | P3_221 (154) | ✗ | 9 | 54 | 1 | 1.6752 | 1.727 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiYS2 | ICSD | 44957 | R-3m (166) | ✔ | 4 | 26 | 2 | 1.6757 | 2.755 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ag2TeO3 | COD | 1509697 | P2_1/c (14) | ✔ | 24 | 184 | 3 | 1.6765 | 1.781 | 0.000 | (0;000) | ✗ | 04/08/17 |
| B6O | COD | 1511635 | R-3m (166) | ✔ | 14 | 48 | 3 | 1.679 | 1.679 | 0.000 | (0;000) | ✗ | 05/01/17 |
| RbS | ICSD | 73175 | Immm (71) | ✔ | 4 | 30 | 1 | 1.6796 | 1.873 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba3In2Cl2O5 | COD | 2002522 | I4/mmm (139) | ✔ | 12 | 100 | 2 | 1.6797 | 2.375 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg2C3 | ICSD | 71941 | Pnnm (58) | ✔ | 10 | 64 | 3 | 1.6804 | 2.671 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs3BAs2 | ICSD | 300122 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.6808 | 1.772 | 0.000 | (0;000) | ✗ | 30/01/17 |
| H2C3O | COD | 2002929 | P-1 (2) | ✔ | 24 | 80 | 1 | 1.6811 | 1.714 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cs2AgAsS4 | ICSD | 55368 | P-1 (2) | ✔ | 16 | 116 | 1 | 1.6825 | 1.775 | 0.000 | (0;000) | ✗ | 16/03/17 |
| H8Pt(NCl3)2 | ICSD | 97927 | Fm-3m (225) | ✔ | 17 | 70 | 1 | 1.6827 | 1.683 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cd(GaSe2)2 | ICSD | 619892 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.6831 | 1.683 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZnSi(CuS2)2 | ICSD | 236248 | Pc (7) | ✗ | 16 | 124 | 3 | 1.684 | 1.684 | 0.000 | (0;000) | ✗ | 22/03/17 |
| KHgI3 | COD | 1529983 | Pna2_1 (33) | ✗ | 20 | 168 | 1 | 1.6841 | 1.684 | 0.000 | (0;000) | ✗ | 29/03/17 |
| RbBSe3 | COD | 1511307 | P2_1/c (14) | ✔ | 20 | 120 | 1 | 1.6861 | 1.918 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ga2HgS4 | ICSD | 25643 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.6862 | 1.686 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgB9N | COD | 2012796 | R-3m (166) | ✔ | 22 | 84 | 3 | 1.6873 | 1.742 | 0.000 | (0;000) | ✗ | 04/08/17 |