| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sb2MoS | ICSD | 412092 | C2/m (12) | ✔ | 8 | 60 | 3 | 0.0 | 0.016 | 0.891 | (0;001) | ✗ | 10/08/17 |
| V3O5 | COD | 2106479 | C2/c (15) | ✔ | 16 | 138 | 3 | 0.0 | 0.000 | 0.593 | (1;011) | ✗ | 10/08/17 |
| VCl5 | ICSD | 425146 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.3098 | 0.388 | 0.000 | (0;000) | ✗ | 02/02/17 |
| In(GaAu)2 | ICSD | 190987 | P6_3/mmc (194) | ✔ | 10 | 122 | 3 | 0.0 | 0.000 | 0.878 | (1;000) | ✗ | 05/01/17 |
| MgGaAu2 | COD | 2019456 | P6_3/mmc (194) | ✔ | 8 | 90 | 3 | 0.0 | 0.000 | 0.830 | (0;000) | ✗ | 05/01/17 |
| SiP2 | ICSD | 43098 | Pbam (55) | ✔ | 24 | 112 | 2 | 0.7829 | 1.248 | 0.000 | (0;000) | ✗ | 04/08/17 |
| OsO4 | ICSD | 23803 | C2/c (15) | ✔ | 10 | 80 | 1 | 3.023 | 3.060 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaP5 | ICSD | 99177 | Pnma (62) | ✔ | 24 | 136 | 1 | 1.3261 | 1.339 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CuPtF6 | ICSD | 64660 | P-1 (2) | ✔ | 16 | 126 | 3 | 0.0 | 0.006 | 0.051 | (1;010) | ✗ | 27/01/17 |
| Sr(GeAu)2 | COD | 7209408 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.080 | 0.713 | (0;000) | ✗ | 05/01/17 |
| ScInAu2 | COD | 1510427 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.081 | 0.410 | (0;000) | ✗ | 05/01/17 |
| Y4C7 | ICSD | 86049 | P2_1/c (14) | ✔ | 22 | 144 | 3 | 0.0 | 0.012 | 0.192 | (1;010) | ✗ | 04/08/17 |
| SrCuTeF | ICSD | 183708 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.3841 | 1.384 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BeP2 | ICSD | 2262 | C2/c (15) | ✔ | 24 | 112 | 1 | 0.8233 | 0.895 | 0.000 | (0;000) | ✗ | 04/08/17 |
| B4W | ICSD | 615683 | P4/mbm (127) | ✔ | 20 | 160 | 3 | 0.0 | 0.005 | 0.388 | (1;000) | ✗ | 11/04/17 |
| Ta | ICSD | 54207 | P4/mbm (127) | ✔ | 4 | 52 | 1 | 0.0 | 0.000 | 0.998 | (1;001) | ✗ | 29/03/17 |
| NaCuSO4F | ICSD | 262273 | C2/c (15) | ✔ | 16 | 114 | 3 | 0.0 | 0.000 | 0.143 | (1;101) | ✗ | 27/01/17 |
| ICl3 | ICSD | 24714 | P-1 (2) | ✔ | 8 | 56 | 1 | 1.5447 | 1.545 | 0.000 | (0;000) | ✗ | 06/10/16 |
| YInAu2 | COD | 1510436 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.067 | 0.399 | (0;000) | ✗ | 05/01/17 |
| NaAu2 | COD | 1510444 | Fd-3m (227) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.620 | (0;000) | ✗ | 05/01/17 |
| SrMoO2 | COD | 5910131 | I4_1/a (88) | ✔ | 16 | 144 | 3 | 0.0 | 0.002 | 0.348 | (1;111) | ✗ | 29/03/17 |
| CuHOF | ICSD | 98698 | P2_1/c (14) | ✔ | 16 | 100 | 2 | 0.0 | 0.052 | 0.272 | (0;010) | ✗ | 27/01/17 |
| TiF3 | ICSD | 67148 | R-3c (167) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.753 | (0;000) | ✗ | 22/03/17 |
| Sr(AuO2)2 | COD | 1510452 | I4_1/a (88) | ✔ | 14 | 112 | 3 | 1.6058 | 1.644 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CsI | ICSD | 61517 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.8212 | 3.821 | 0.000 | (0;000) | ✗ | 22/03/17 |
| P3Au2 | COD | 2105391 | C2/m (12) | ✔ | 10 | 74 | 3 | 0.0 | 0.091 | 0.119 | (1;001) | ✗ | 05/01/17 |
| YCI | ICSD | 400298 | C2/m (12) | ✔ | 6 | 44 | 2 | 0.0 | 0.024 | 0.512 | (0;000) | ✗ | 22/03/17 |
| SrCuSeF | ICSD | 172798 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.0 | 0.003 | 0.435 | (1;001) | ✗ | 27/01/17 |
| WCl6 | ICSD | 26081 | R-3 (148) | ✔ | 7 | 56 | 1 | 1.782 | 1.845 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PbAu2 | COD | 1510457 | Fd-3m (227) | ✔ | 6 | 72 | 3 | 0.0 | 0.061 | 0.085 | (0;000) | ✗ | 05/01/17 |
| Sr(SiAu)2 | COD | 7209413 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.028 | 0.714 | (1;000) | ✗ | 05/01/17 |
| NbCuO3F | ICSD | 200533 | P-1 (2) | ✔ | 12 | 98 | 3 | 0.0 | 0.009 | 0.456 | (1;011) | ✗ | 27/01/17 |
| BaMoO2 | COD | 5910093 | I4_1/a (88) | ✔ | 16 | 144 | 3 | 0.0 | 0.021 | 0.336 | (1;111) | ✗ | 21/03/17 |
| KZnF3 | COD | 5910077 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 3.8219 | 5.649 | 0.000 | (0;000) | ✗ | 27/01/17 |
| InF3 | ICSD | 38306 | R-3c (167) | ✔ | 8 | 68 | 3 | 4.4815 | 4.509 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnF2 | ICSD | 20364 | Pbcn (60) | ✔ | 12 | 104 | 3 | 2.9733 | 2.973 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Y2C | ICSD | 96329 | R-3m (166) | ✔ | 3 | 26 | 3 | 0.0 | 0.012 | 0.308 | (1;111) | ✗ | 27/01/17 |
| YCu | ICSD | 629426 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.661 | (0;111) | ✗ | 27/01/17 |
| Li2CuP | COD | 4000338 | P6_3/mmc (194) | ✔ | 8 | 44 | 2 | 0.0 | 0.718 | 0.239 | (0;000) | ✗ | 27/01/17 |
| Cs | ICSD | 150187 | I4_1/amd (141) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.599 | (1;111) | ✗ | 27/01/17 |
| CsH | ICSD | 53235 | Pm-3m (221) | ✔ | 2 | 10 | 3 | 2.5955 | 2.596 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cr | ICSD | 625716 | Pm-3n (223) | ✔ | 8 | 112 | 3 | 0.0 | 0.005 | 0.346 | (0;000) | ✗ | 27/01/17 |
| Pb | ICSD | 105158 | R-3m (166) | ✔ | 2 | 28 | 1 | 0.0 | 0.792 | 0.047 | (0;000) | ✗ | 02/02/17 |
| KC8 | ICSD | 70020 | Fddd (70) | ✔ | 18 | 82 | 2 | 0.0 | 0.000 | 0.815 | (1;111) | ✗ | 02/02/17 |
| CoGe | ICSD | 43677 | C2/m (12) | ✔ | 8 | 84 | 3 | 0.0 | 0.012 | 0.780 | (0;000) | ✗ | 27/01/17 |
| Sn | ICSD | 652713 | I4/mmm (139) | ✔ | 1 | 14 | 2 | 0.0 | 0.263 | 0.616 | (0;000) | ✗ | 27/01/17 |
| NaCN | ICSD | 77172 | Pmmn (59) | ✔ | 6 | 36 | 1 | 5.2505 | 5.437 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaC | ICSD | 95835 | Immm (71) | ✔ | 4 | 26 | 1 | 3.6931 | 3.727 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MoC | ICSD | 618295 | P6_3/mmc (194) | ✔ | 12 | 108 | 3 | 0.0 | 0.004 | 0.904 | (1;000) | ✗ | 27/01/17 |
| ZrCl | ICSD | 20145 | R-3m (166) | ✔ | 4 | 22 | 2 | 0.0 | 0.068 | 0.166 | (0;111) | ✗ | 27/01/17 |
| YClO | ICSD | 60585 | R-3m (166) | ✔ | 6 | 48 | 2 | 4.0542 | 4.591 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Se | ICSD | 656457 | R-3m (166) | ✔ | 1 | 6 | 3 | 0.0 | 0.028 | 0.777 | (0;000) | ✗ | 27/01/17 |
| K2CO3 | ICSD | 662 | C2/c (15) | ✔ | 12 | 80 | 1 | 3.5203 | 3.520 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cd2Hg | ICSD | 58983 | I4/mmm (139) | ✔ | 3 | 36 | 3 | 0.0 | 0.033 | 0.617 | (1;000) | ✗ | 27/01/17 |
| Sr(CdGe)2 | ICSD | 25331 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.013 | 0.384 | (1;111) | ✗ | 27/01/17 |
| Sr(CdGa)2 | ICSD | 370021 | I4/mmm (139) | ✔ | 5 | 60 | 3 | 0.0 | 0.013 | 0.813 | (0;000) | ✗ | 27/01/17 |
| CuCO3 | COD | 9000104 | R-3c (167) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.632 | (0;000) | ✗ | 27/01/17 |
| CuCN2 | ICSD | 161460 | Cmcm (63) | ✔ | 8 | 50 | 3 | 0.0 | 0.000 | 0.436 | (0;000) | ✗ | 27/01/17 |
| Cr3PC | ICSD | 617527 | Cmcm (63) | ✔ | 10 | 102 | 3 | 0.0 | 0.000 | 0.956 | (0;110) | ✗ | 27/01/17 |
| Cr3GeC | ICSD | 189871 | Cmcm (63) | ✔ | 10 | 100 | 3 | 0.0 | 0.007 | 0.897 | (1;110) | ✗ | 27/01/17 |
| Cr2GaC | ICSD | 76801 | P6_3/mmc (194) | ✔ | 8 | 90 | 3 | 0.0 | 0.000 | 0.906 | (0;001) | ✗ | 27/01/17 |
| YCoC | ICSD | 61684 | P4_2/mmc (131) | ✔ | 6 | 64 | 3 | 0.0 | 0.000 | 0.622 | (1;000) | ✗ | 27/01/17 |
| CoCO3 | COD | 9007713 | R-3c (167) | ✔ | 10 | 78 | 3 | 0.0 | 0.000 | 0.698 | (1;100) | ✗ | 27/01/17 |
| CoCN2 | COD | 4307548 | P6_3/mmc (194) | ✔ | 8 | 62 | 3 | 0.0 | 0.000 | 0.753 | (0;000) | ✗ | 27/01/17 |
| ScCo3C | ICSD | 76793 | Pm-3m (221) | ✔ | 5 | 66 | 3 | 0.0 | 0.000 | 0.214 | (0;111) | ✗ | 27/01/17 |
| Co2C | COD | 1528415 | Pnnm (58) | ✔ | 6 | 76 | 3 | 0.0 | 0.020 | 0.325 | (0;000) | ✗ | 27/01/17 |
| Mn2Co2C | ICSD | 44353 | P4/mmm (123) | ✔ | 5 | 68 | 3 | 0.0 | 0.006 | 0.715 | (1;000) | ✗ | 27/01/17 |
| PbCClO2 | ICSD | 99805 | C2/m (12) | ✔ | 10 | 74 | 2 | 2.7433 | 2.837 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CNCl | COD | 2310595 | Pmmn (59) | ✔ | 6 | 32 | 1 | 5.9059 | 6.068 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2C(NCl)2 | ICSD | 391257 | C2/m (12) | ✔ | 7 | 48 | 1 | 4.3237 | 4.743 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ti2CdC | ICSD | 42924 | P6_3/mmc (194) | ✔ | 8 | 80 | 3 | 0.0 | 0.004 | 0.591 | (0;000) | ✗ | 27/01/17 |
| CdCO3 | COD | 9000100 | R-3c (167) | ✔ | 10 | 68 | 3 | 2.9606 | 3.873 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CdCO3 | COD | 1011341 | R-3m (166) | ✔ | 5 | 34 | 3 | 0.0 | 0.008 | 0.815 | (0;111) | ✗ | 27/01/17 |
| CdCN2 | COD | 7222161 | R-3m (166) | ✔ | 4 | 26 | 3 | 2.4076 | 2.566 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaPd3C | ICSD | 108128 | Pm-3m (221) | ✔ | 5 | 68 | 3 | 0.0 | 0.000 | 0.602 | (0;000) | ✗ | 27/01/17 |
| CaCO3 | COD | 9000969 | R-3c (167) | ✔ | 10 | 64 | 2 | 5.1595 | 5.398 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaCO3 | ICSD | 186773 | P-1 (2) | ✔ | 10 | 64 | 1 | 3.8372 | 3.837 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaCO3 | ICSD | 161621 | Pmmn (59) | ✔ | 10 | 64 | 1 | 4.485 | 4.872 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaCN2 | COD | 1010503 | R-3m (166) | ✔ | 4 | 24 | 1 | 0.0 | 0.474 | 0.106 | (0;000) | ✗ | 27/01/17 |
| YBC | ICSD | 42626 | Cmmm (65) | ✔ | 6 | 36 | 3 | 0.0 | 0.006 | 0.641 | (1;110) | ✗ | 27/01/17 |
| YCBr | ICSD | 78871 | C2/m (12) | ✔ | 6 | 44 | 2 | 0.0 | 0.017 | 0.505 | (0;000) | ✗ | 27/01/17 |
| CBrN | ICSD | 31694 | Pmmn (59) | ✔ | 6 | 32 | 1 | 4.971 | 5.037 | 0.000 | (0;000) | ✗ | 27/01/17 |
| YNiBC | ICSD | 85283 | P4/nmm (129) | ✔ | 8 | 56 | 3 | 0.0 | 0.017 | 0.299 | (1;001) | ✗ | 27/01/17 |
| LiBC | ICSD | 245288 | P6_3/mmc (194) | ✔ | 6 | 20 | 2 | 0.87 | 1.372 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaBiCO4F | ICSD | 87759 | Pmmn (59) | ✔ | 16 | 120 | 1 | 0.0 | 0.006 | 0.260 | (0;000) | ✗ | 27/01/17 |
| BaCO3 | COD | 9006847 | P6_3/mmc (194) | ✔ | 10 | 64 | 1 | 4.3243 | 4.751 | 0.000 | (0;000) | ✗ | 27/01/17 |
| B4C | ICSD | 612562 | R-3m (166) | ✔ | 15 | 48 | 3 | 0.8525 | 0.871 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaZn5 | ICSD | 418614 | P6/mmm (191) | ✔ | 6 | 70 | 3 | 0.0 | 0.000 | 0.680 | (1;000) | ✗ | 27/01/17 |
| CaZn2 | ICSD | 418971 | Imma (74) | ✔ | 6 | 68 | 3 | 0.0 | 0.009 | 0.557 | (0;111) | ✗ | 27/01/17 |
| CaW | ICSD | 28952 | I4_1/amd (141) | ✔ | 4 | 48 | 1 | 0.0 | 0.019 | 0.278 | (1;111) | ✗ | 27/01/17 |
| AuCClO | ICSD | 33526 | Cmcm (63) | ✔ | 8 | 56 | 2 | 2.4939 | 2.899 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaTe | COD | 9008608 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.1904 | 2.349 | 0.000 | (0;000) | ✗ | 27/01/17 |
| V3AsC | ICSD | 609887 | Cmcm (63) | ✔ | 10 | 96 | 3 | 0.0 | 0.003 | 0.713 | (1;110) | ✗ | 27/01/17 |
| V2AsC | ICSD | 43874 | P6_3/mmc (194) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.646 | (1;000) | ✗ | 27/01/17 |
| CaS | COD | 9008606 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 2.3258 | 3.135 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Nb2AsC | ICSD | 43011 | P6_3/mmc (194) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.779 | (0;001) | ✗ | 27/01/17 |
| CaSn3 | COD | 5910066 | Pm-3m (221) | ✔ | 4 | 52 | 3 | 0.0 | 0.005 | 0.323 | (0;111) | ✗ | 27/01/17 |
| CaZnSi | ICSD | 52791 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.382 | 0.187 | (0;000) | ✗ | 27/01/17 |
| CaSi | ICSD | 55209 | Cmcm (63) | ✔ | 4 | 28 | 3 | 0.0 | 0.012 | 0.176 | (1;000) | ✗ | 27/01/17 |
| Ca(ZnSi)2 | ICSD | 59649 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.007 | 0.413 | (0;000) | ✗ | 27/01/17 |