Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| AsS | COD | 4343657 | Cmc2_1 (36) | ✗ | 12 | 66 | 1 | 0.0 | 0.000 | 0.732 | ? | ✗ | 21/03/17 |
| Nb3Au2 | ICSD | 612191 | P4_132 (213) | ✗ | 20 | 244 | 3 | 0.0 | 0.000 | 0.820 | ? | ✗ | 21/03/17 |
| Al2HgSe4 | ICSD | 25638 | I-4 (82) | ✗ | 7 | 42 | 3 | 1.5826 | 1.583 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaTe3 | ICSD | 36366 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 0.719 | 0.730 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Al2HgSe4 | ICSD | 33827 | I-4 (82) | ✗ | 7 | 42 | 3 | 1.5688 | 1.569 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlAs | ICSD | 67771 | P6_3mc (186) | ✗ | 4 | 16 | 3 | 1.599 | 1.705 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CuP2 | ICSD | 35282 | P2_1/c (14) | ✔ | 12 | 84 | 2 | 0.8655 | 0.866 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Al2HgTe4 | ICSD | 25641 | I-4 (82) | ✗ | 7 | 42 | 3 | 1.0557 | 1.056 | 0.000 | (0;000) | ✗ | 06/10/16 |
| HfGaAu | ICSD | 156265 | P-6m2 (187) | ✗ | 6 | 72 | 3 | 0.0 | 0.299 | 0.297 | (0;000) | ✔ | 06/10/16 |
| AsRh | ICSD | 42572 | Pmnb (62) | ✔ | 8 | 88 | 3 | 0.0 | 0.044 | 0.380 | (0;000) | ✗ | 06/10/16 |
| B6P | ICSD | 615157 | R-3m (166) | ✔ | 14 | 46 | 3 | 2.3732 | 2.493 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Al2HgSe4 | ICSD | 183502 | I-4 (82) | ✗ | 7 | 42 | 3 | 1.5998 | 1.600 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CuI | ICSD | 84217 | P3m1 (156) | ✗ | 4 | 36 | 2 | 1.3365 | 1.337 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AsI3 | ICSD | 23003 | R-3 (148) | ✔ | 8 | 52 | 1 | 1.9506 | 2.019 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Pb2O3 | ICSD | 36243 | P2_1/m (11) | ✔ | 10 | 92 | 3 | 0.0 | 0.344 | 0.804 | (0;000) | ✔ | 27/01/17 |
| CaBiAu | ICSD | 248683 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.043 | 0.125 | (0;000) | ✔ | 06/10/16 |
| ZrGaAu | ICSD | 156264 | P-6m2 (187) | ✗ | 6 | 56 | 3 | 0.0 | 0.287 | 0.291 | (0;000) | ✔ | 06/10/16 |
| K3Sb | ICSD | 641351 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.6121 | 0.612 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CuI | ICSD | 24772 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.9338 | 0.934 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaSe3 | ICSD | 16359 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 0.9646 | 1.065 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CuI | ICSD | 157431 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.9584 | 0.959 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Al2HgS4 | ICSD | 25635 | I-4 (82) | ✗ | 7 | 42 | 3 | 2.2212 | 2.221 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Mg(AlS2)2 | ICSD | 608441 | R3m (160) | ✗ | 7 | 40 | 2 | 1.4592 | 1.613 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba | ICSD | 615773 | P6_3/mmc (194) | ✔ | 2 | 20 | 1 | 0.0 | 0.019 | 0.268 | (0;000) | ✗ | 05/01/17 |
| AlAs | ICSD | 185081 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.3082 | 2.054 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PbO | ICSD | 15402 | Pmab (57) | ✔ | 8 | 80 | 2 | 1.8544 | 2.040 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlN | ICSD | 163951 | Ccmm (63) | ✔ | 4 | 16 | 3 | 4.2953 | 5.458 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaSe2 | ICSD | 16358 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.009 | 1.076 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Be5Pd | ICSD | 58729 | F-43m (216) | ✗ | 6 | 30 | 1 | 0.0 | 0.315 | 0.184 | (0;000) | ✔ | 04/10/16 |
| Al2HgSe4 | ICSD | 183396 | I-4 (82) | ✗ | 7 | 42 | 3 | 1.582 | 1.582 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaBiAu | ICSD | 248681 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.039 | 0.081 | (0;000) | ✔ | 06/10/16 |
| TlBSe3 | ICSD | 411344 | Cc (9) | ✗ | 10 | 68 | 2 | 0.841 | 1.470 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LaRh | ICSD | 641721 | Ccmm (63) | ✔ | 4 | 40 | 3 | 0.0 | 0.011 | 0.109 | (0;000) | ✗ | 06/10/16 |
| CrSi2 | ICSD | 96026 | P6_422 (181) | ✗ | 9 | 66 | 3 | 0.3265 | 0.494 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Al2CdSe4 | ICSD | 83527 | I-4 (82) | ✗ | 7 | 42 | 3 | 2.1509 | 2.151 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CrSi2 | ICSD | 16836 | P6_222 (180) | ✗ | 9 | 66 | 3 | 0.3285 | 0.492 | 0.000 | (0;000) | ✔ | 06/10/16 |
| AlF3 | ICSD | 36034 | R-3 (148) | ✔ | 8 | 48 | 3 | 8.1649 | 8.165 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaS3 | ICSD | 23637 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 1.3893 | 1.418 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Al2CdTe4 | ICSD | 25640 | I-4 (82) | ✗ | 7 | 42 | 3 | 1.4572 | 1.457 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MnP | ICSD | 191788 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.0 | 0.028 | 0.137 | (0;000) | ✔ | 04/10/16 |
| BaS2 | ICSD | 2004 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.5522 | 1.591 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MoS2 | ICSD | 24000 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.8501 | 1.709 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AgI | ICSD | 28230 | P4/nmm (129) | ✔ | 4 | 36 | 2 | 1.0238 | 1.024 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AgCl | ICSD | 56544 | Ccmm (63) | ✔ | 4 | 36 | 3 | 0.6341 | 1.745 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CrP2 | ICSD | 2526 | C2/m (12) | ✔ | 6 | 48 | 3 | 0.0 | 0.029 | 0.247 | (0;000) | ✔ | 27/01/17 |
| Al2CdSe4 | ICSD | 51422 | I-4 (82) | ✗ | 7 | 42 | 3 | 1.9423 | 1.942 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KZnAs | ICSD | 43985 | P-6m2 (187) | ✗ | 3 | 26 | 2 | 0.2099 | 0.326 | 0.000 | (0;000) | ✔ | 06/10/16 |
| BaP3 | ICSD | 23618 | C2/m (12) | ✔ | 8 | 50 | 1 | 0.6198 | 0.781 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CrI2 | ICSD | 23892 | C2/m (12) | ✔ | 3 | 28 | 2 | 0.0 | 0.052 | 0.341 | (0;000) | ✔ | 06/10/16 |
| RuN2 | ICSD | 240754 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.0 | 0.037 | 0.341 | (0;000) | ✗ | 06/10/16 |
| ZnTe | ICSD | 80076 | P3_1 (144) | ✗ | 6 | 54 | 3 | 0.2277 | 1.605 | 0.000 | (0;000) | ✔ | 06/10/16 |
| ZnTe | ICSD | 67779 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 1.1475 | 1.148 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CrF2 | ICSD | 31827 | P2_1/c (14) | ✔ | 6 | 56 | 3 | 0.0 | 0.025 | 0.421 | (0;000) | ✔ | 06/10/16 |
| PbO | ICSD | 62846 | P4/nmm (129) | ✔ | 4 | 40 | 2 | 1.1693 | 2.163 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZnTe | ICSD | 184488 | P6_422 (181) | ✗ | 6 | 54 | 3 | 0.6079 | 0.689 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZnTe | ICSD | 184486 | P3_121 (152) | ✗ | 6 | 54 | 3 | 0.2173 | 0.229 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CoP2 | ICSD | 38316 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.324 | 0.324 | 0.000 | (0;000) | ✔ | 27/01/17 |
| ZnTe | ICSD | 104196 | F-43m (216) | ✗ | 2 | 18 | 3 | 1.0183 | 1.018 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SnTe | ICSD | 53956 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.0 | 0.063 | 0.313 | (0;000) | ✔ | 06/10/16 |
| BaN2 | ICSD | 280681 | C2/c (15) | ✔ | 6 | 40 | 1 | 0.0 | 0.007 | 0.652 | (0;000) | ✔ | 06/10/16 |
| AgO | ICSD | 202543 | P2_1/c (14) | ✔ | 8 | 68 | 3 | 0.1696 | 0.666 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Al2FeS4 | ICSD | 607619 | R3m (160) | ✗ | 7 | 38 | 2 | 0.1679 | 0.212 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Te7As5I | ICSD | 31877 | Cm (8) | ✗ | 13 | 74 | 3 | 0.1896 | 0.258 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Si2W | ICSD | 652549 | P6_222 (180) | ✗ | 9 | 66 | 3 | 0.0 | 0.481 | 0.083 | (0;000) | ✔ | 06/10/16 |
| SiSn | ICSD | 184676 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.3735 | 1.360 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CoGe | ICSD | 184254 | C2/m (12) | ✔ | 8 | 52 | 3 | 0.0 | 0.012 | 0.761 | (0;000) | ✔ | 06/10/16 |
| BF2 | ICSD | 27867 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 5.0014 | 5.057 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZrSe3 | ICSD | 25621 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.3234 | 0.610 | 0.000 | (0;000) | ✔ | 06/10/16 |
| MnN | ICSD | 236787 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.0222 | 0.393 | 0.000 | (0;000) | ✔ | 04/10/16 |
| Al2CdSe4 | ICSD | 25637 | I-4 (82) | ✗ | 7 | 42 | 3 | 2.2118 | 2.212 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZnSe | ICSD | 43595 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 1.1625 | 1.163 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZnSe | ICSD | 162755 | F-43m (216) | ✗ | 2 | 18 | 3 | 1.1452 | 1.145 | 0.000 | (0;000) | ✗ | 06/10/16 |
| IrCl3 | ICSD | 23171 | C2/m (12) | ✔ | 8 | 76 | 2 | 1.6895 | 1.690 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TlSb | ICSD | 184577 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.220 | (0;000) | ✔ | 06/10/16 |
| ZrS3 | ICSD | 42073 | P2_1/m (11) | ✔ | 8 | 44 | 2 | 0.9911 | 1.042 | 0.000 | (0;000) | ✗ | 27/01/17 |
| GaCl3 | ICSD | 413455 | C2/m (12) | ✔ | 8 | 68 | 1 | 4.2652 | 4.266 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiAs | ICSD | 153457 | C2/m (12) | ✔ | 12 | 54 | 3 | 0.8022 | 0.969 | 0.000 | (0;000) | ✗ | 30/01/17 |
| KSnAs | ICSD | 65413 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.4164 | 0.458 | 0.000 | (0;000) | ✔ | 06/10/16 |
| TiS3 | ICSD | 42072 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.0 | 0.119 | 0.107 | (0;000) | ✔ | 06/10/16 |
| SrS3 | ICSD | 23638 | Cc2e (41) | ✗ | 8 | 56 | 1 | 1.0789 | 1.079 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZrCl2 | ICSD | 20144 | R3m (160) | ✗ | 3 | 26 | 2 | 0.8387 | 1.424 | 0.000 | (0;000) | ✗ | 06/10/16 |
| WS2 | ICSD | 202367 | R3m (160) | ✗ | 3 | 26 | 2 | 0.8802 | 1.635 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TiS2 | ICSD | 79803 | C2/m (12) | ✔ | 3 | 24 | 2 | 0.0 | 0.377 | 0.035 | (0;000) | ✔ | 06/10/16 |
| ZnCl2 | ICSD | 15916 | I-42d (122) | ✗ | 6 | 52 | 3 | 3.8632 | 3.863 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BSb | ICSD | 184571 | F-43m (216) | ✗ | 2 | 8 | 3 | 0.6393 | 2.485 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SnS2 | ICSD | 43003 | P6_3mc (186) | ✗ | 6 | 52 | 2 | 1.2053 | 1.498 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiS2 | ICSD | 16952 | I-42d (122) | ✗ | 6 | 32 | 3 | 2.9532 | 3.090 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PdCl2 | ICSD | 421221 | P2_1/c (14) | ✔ | 6 | 64 | 2 | 0.6974 | 1.132 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnS | ICSD | 37373 | R3m (160) | ✗ | 6 | 54 | 0 | 2.1341 | 2.134 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZnS | ICSD | 184810 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 2.4085 | 2.409 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PdCl2 | ICSD | 421220 | P2/m (10) | ✔ | 6 | 64 | 1 | 0.7541 | 1.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BP | ICSD | 615155 | P6_3mc (186) | ✗ | 4 | 16 | 1 | 1.5643 | 1.691 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AgP2 | ICSD | 35283 | P2_1/c (14) | ✔ | 12 | 84 | 2 | 0.6204 | 0.634 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiAsS2 | ICSD | 419061 | Cc (9) | ✗ | 8 | 40 | 1 | 1.0844 | 1.085 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZnS | ICSD | 108733 | F-43m (216) | ✗ | 2 | 18 | 3 | 2.0623 | 2.062 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZnS | ICSD | 107611 | R3m (160) | ✗ | 2 | 18 | 3 | 2.1125 | 2.113 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BP | ICSD | 181291 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.2188 | 3.369 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Al2CdSe4 | ICSD | 174192 | I-4 (82) | ✗ | 7 | 42 | 3 | 2.0835 | 2.084 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgCl2 | ICSD | 51245 | P-4m2 (115) | ✗ | 3 | 24 | 2 | 4.679 | 5.054 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Al2CdSe4 | ICSD | 51421 | I-4 (82) | ✗ | 7 | 42 | 3 | 2.2148 | 2.215 | 0.000 | (0;000) | ✗ | 06/10/16 |