| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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 |