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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NaO2 | ICSD | 180562 | Pmnn (58) | ✔ | 6 | 42 | 1 | 0.0 | 0.000 | 0.985 | (0;110) | ✗ | 06/10/16 |
| TlBi | ICSD | 53967 | Pm-3m (221) | ✔ | 2 | 28 | 3 | 0.0 | 0.000 | 0.632 | (1;111) | ✗ | 05/01/17 |
| CuGeO3 | ICSD | 16834 | Pmcm (51) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.683 | (1;010) | ✗ | 06/10/16 |
| ZrBi | ICSD | 409756 | Cmcm (63) | ✔ | 12 | 54 | 3 | 0.0 | 0.000 | 0.702 | (1;110) | ✗ | 06/10/16 |
| CoTe2 | ICSD | 25678 | Pmnn (58) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.783 | (0;000) | ✗ | 06/10/16 |
| NbAlCo2 | ICSD | 606622 | Fm-3m (225) | ✔ | 4 | 50 | 3 | 0.0 | 0.000 | 0.686 | (1;000) | ✗ | 05/01/17 |
| TaN | ICSD | 167876 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.290 | (1;000) | ✔ | 04/10/16 |
| Ta4AlC3 | ICSD | 157843 | P6_3/mmc (194) | ✔ | 16 | 134 | 3 | 0.0 | 0.000 | 0.909 | (1;000) | ✗ | 27/01/17 |
| B5W2 | ICSD | 615696 | P6_3/mmc (194) | ✔ | 14 | 86 | 3 | 0.0 | 0.000 | 1.000 | (1;011) | ✗ | 27/01/17 |
| Li2Tl | ICSD | 642401 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.717 | (1;110) | ✗ | 27/01/17 |
| MnNbSi | ICSD | 24185 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.742 | ? | ✗ | 06/10/16 |
| V3B2 | COD | 1510850 | P4/mbm (127) | ✔ | 10 | 90 | 3 | 0.0 | 0.000 | 0.899 | (0;000) | ✗ | 05/01/17 |
| HgSe | ICSD | 24175 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.023 | (1;000) | ✔ | 06/10/16 |
| Li2In | ICSD | 51961 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.804 | (1;110) | ✗ | 27/01/17 |
| ScAu | COD | 1510291 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.714 | (0;111) | ✗ | 05/01/17 |
| Pd2N | ICSD | 96418 | Pnnm (58) | ✔ | 6 | 82 | 3 | 0.0 | 0.000 | 0.775 | (1;011) | ✗ | 27/01/17 |
| HgTe | ICSD | 162602 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.018 | (1;000) | ✔ | 06/10/16 |
| ZrH | ICSD | 169451 | P4_2/mmc (131) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.564 | (0;011) | ✗ | 06/10/16 |
| Ti3As | ICSD | 611501 | Pm-3n (223) | ✔ | 8 | 82 | 3 | 0.0 | 0.000 | 0.927 | (1;000) | ✗ | 05/01/17 |
| ZrB12 | COD | 8100740 | Fm-3m (225) | ✔ | 13 | 40 | 3 | 0.0 | 0.000 | 0.844 | (1;000) | ✗ | 05/01/17 |
| BaVS3 | ICSD | 154182 | Ccm2_1 (36) | ✗ | 10 | 82 | 1 | 0.0 | 0.000 | 0.545 | (0;011) | ✔ | 05/12/16 |
| BaCoF4 | ICSD | 261189 | Ccm2_1 (36) | ✗ | 12 | 94 | 2 | 0.0 | 0.000 | 0.965 | ? | ✗ | 06/10/16 |
| TaN | ICSD | 290395 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.080 | (1;100) | ✔ | 04/10/16 |
| CaIrO3 | ICSD | 159030 | Cmc2_1 (36) | ✗ | 10 | 90 | 2 | 0.0 | 0.000 | 0.405 | (1;001) | ✔ | 05/12/16 |
| YPb2 | ICSD | 105640 | Cmcm (63) | ✔ | 6 | 78 | 3 | 0.0 | 0.000 | 0.685 | (0;000) | ✗ | 06/10/16 |
| Ba2YReO6 | ICSD | 168216 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 0.0 | 0.000 | 0.444 | (0;000) | ✗ | 05/01/17 |
| NiPbO3 | ICSD | 187685 | R3c (161) | ✗ | 10 | 84 | 3 | 0.0 | 0.000 | 0.368 | ? | ✗ | 06/10/16 |
| Nb3B2 | ICSD | 614907 | P4/mbm (127) | ✔ | 10 | 90 | 3 | 0.0 | 0.000 | 0.784 | (1;111) | ✗ | 05/01/17 |
| Cr | COD | 9008531 | Im-3m (229) | ✔ | 1 | 14 | 3 | 0.0 | 0.000 | 0.523 | (0;111) | ✗ | 27/01/17 |
| NbPt3 | ICSD | 645212 | Pmmn (59) | ✔ | 8 | 86 | 3 | 0.0 | 0.000 | 0.825 | (0;000) | ✗ | 27/01/17 |
| ZrSiRu | ICSD | 600432 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.824 | ? | ✗ | 06/10/16 |
| FeBiO3 | ICSD | 157424 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.775 | ? | ✗ | 06/10/16 |
| CaIrO3 | ICSD | 159032 | Cmc2_1 (36) | ✗ | 10 | 74 | 2 | 0.0 | 0.000 | 0.318 | ? | ✗ | 06/10/16 |
| AgF2 | COD | 1509319 | P2_1/c (14) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.402 | (0;000) | ✗ | 05/01/17 |
| BaCa(FeO2)4 | COD | 1008057 | P-31m (162) | ✔ | 14 | 100 | 2 | 0.0 | 0.000 | 0.787 | (0;001) | ✗ | 05/01/17 |
| BPd3 | COD | 1511295 | Pnma (62) | ✔ | 16 | 228 | 3 | 0.0 | 0.000 | 0.634 | (1;110) | ✗ | 27/01/17 |
| InN | ICSD | 157514 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.007 | (1;000) | ✔ | 06/10/16 |
| TiCuSn | ICSD | 54657 | P6_3mc (186) | ✗ | 6 | 74 | 3 | 0.0 | 0.000 | 0.569 | ? | ✗ | 06/10/16 |
| Ag3Sn | COD | 9011118 | Pmmn (59) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.926 | (0;000) | ✗ | 05/01/17 |
| Sr5Bi3 | ICSD | 41838 | P6_3/mcm (193) | ✔ | 16 | 130 | 1 | 0.0 | 0.000 | 0.580 | (1;000) | ✗ | 06/10/16 |
| Y(CoB)4 | ICSD | 613410 | P4_2/nmc (137) | ✔ | 18 | 182 | 3 | 0.0 | 0.000 | 0.885 | (0;000) | ✗ | 05/01/17 |
| BaHg | ICSD | 58654 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.616 | (1;000) | ✗ | 05/01/17 |
| SbPdSe | ICSD | 171030 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.604 | ? | ✗ | 06/10/16 |
| CsN | ICSD | 29106 | Pm-3m (221) | ✔ | 2 | 14 | 1 | 0.0 | 0.000 | 0.697 | (0;000) | ✗ | 27/01/17 |
| NiAsSe | ICSD | 93901 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.690 | ? | ✗ | 06/10/16 |
| Bi9I2 | ICSD | 39257 | P2_1/m (11) | ✔ | 22 | 118 | 3 | 0.0 | 0.000 | 0.931 | (1;011) | ✗ | 06/10/16 |
| InSb | ICSD | 162196 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0313 | 0.000 | 0.009 | (1;000) | ✔ | 06/10/16 |
| BPt | COD | 1511304 | P6_3/mmc (194) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.556 | (1;000) | ✗ | 27/01/17 |
| CrB | COD | 2310092 | Cmcm (63) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.835 | (0;110) | ✗ | 05/01/17 |
| Sr3(SnIr)4 | ICSD | 410992 | I-43m (217) | ✗ | 11 | 122 | 3 | 0.0 | 0.000 | 0.624 | ? | ✗ | 06/10/16 |
| RbMnAs | COD | 1521904 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.838 | (0;000) | ✗ | 05/01/17 |
| CrAs | COD | 9008929 | Pnma (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.000 | 0.447 | (1;011) | ✗ | 05/01/17 |
| YAl2 | ICSD | 609660 | Fd-3m (227) | ✔ | 6 | 34 | 3 | 0.0 | 0.000 | 0.752 | (0;000) | ✗ | 05/01/17 |
| YInPt | ICSD | 59504 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.000 | 0.856 | ? | ✗ | 06/10/16 |
| MnAsRu | ICSD | 610918 | P-62m (189) | ✗ | 9 | 108 | 3 | 0.0 | 0.000 | 0.448 | ? | ✗ | 06/10/16 |
| MoC | ICSD | 618302 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.580 | (1;000) | ✗ | 27/01/17 |
| CuAu3 | COD | 1510492 | Pm-3m (221) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.547 | (0;111) | ✗ | 05/01/17 |
| LaSn | ICSD | 423421 | Cmcm (63) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.738 | (0;000) | ✗ | 06/10/16 |
| BaGePt | ICSD | 106309 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.524 | (1;000) | ✔ | 28/11/16 |
| ScAl3 | ICSD | 107878 | Pm-3m (221) | ✔ | 4 | 20 | 3 | 0.0 | 0.000 | 0.463 | (0;111) | ✗ | 05/01/17 |
| Sc(Ni2As)2 | ICSD | 611064 | P4_2/mnm (136) | ✔ | 14 | 122 | 3 | 0.0 | 0.000 | 0.963 | (0;001) | ✗ | 05/01/17 |
| Ga4BiAs3 | ICSD | 182808 | P-43m (215) | ✗ | 8 | 72 | 3 | 0.0 | 0.000 | 0.240 | (1;000) | ✔ | 06/10/16 |
| FeBiO3 | ICSD | 180496 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.519 | ? | ✗ | 06/10/16 |
| TiAs | ICSD | 44074 | P6_3/mmc (194) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.681 | (1;000) | ✗ | 05/01/17 |
| Ga | COD | 9012485 | Cmcm (63) | ✔ | 2 | 26 | 3 | 0.0 | 0.000 | 0.650 | (1;110) | ✗ | 27/01/17 |
| Fe3B | ICSD | 260757 | Pnma (62) | ✔ | 16 | 108 | 3 | 0.0 | 0.000 | 0.611 | (0;110) | ✗ | 05/01/17 |
| AgBF5 | COD | 1509211 | P4/n (85) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.997 | (1;001) | ✗ | 05/01/17 |
| Li5(NiN)3 | ICSD | 411152 | P-62m (189) | ✗ | 11 | 60 | 1 | 0.0 | 0.000 | 0.970 | ? | ✗ | 06/10/16 |
| KO2 | ICSD | 38230 | C2/c (15) | ✔ | 6 | 42 | 2 | 0.0 | 0.000 | 0.626 | (1;011) | ✔ | 27/01/17 |
| CaGa | ICSD | 260641 | Ccmm (63) | ✔ | 4 | 46 | 1 | 0.0 | 0.000 | 0.830 | (0;000) | ✗ | 06/10/16 |
| FeBiO3 | ICSD | 97591 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.523 | ? | ✗ | 06/10/16 |
| Cr3CdTe4 | ICSD | 181055 | P-43m (215) | ✗ | 8 | 78 | 3 | 0.0 | 0.000 | 0.425 | ? | ✗ | 06/10/16 |
| B3Ru2 | ICSD | 108082 | P6_3/mmc (194) | ✔ | 10 | 82 | 3 | 0.0 | 0.000 | 0.896 | (0;000) | ✗ | 05/01/17 |
| CaIn2Cu | COD | 1528108 | Cmcm (63) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.762 | (0;110) | ✗ | 27/01/17 |
| CdC | ICSD | 183178 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.0 | 0.000 | 0.842 | (0;000) | ✔ | 06/10/16 |
| Ca | COD | 9012917 | Pm-3m (221) | ✔ | 1 | 10 | 1 | 0.0 | 0.000 | 0.233 | (0;000) | ✗ | 27/01/17 |
| NiAs | COD | 1011052 | P6_3/mmc (194) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.767 | (1;000) | ✗ | 05/01/17 |
| HfSiOs | ICSD | 638753 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.790 | ? | ✗ | 06/10/16 |
| CrC | ICSD | 181709 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.443 | (0;100) | ✔ | 06/10/16 |
| Ca3Hg | ICSD | 58903 | Pm-3m (221) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.492 | (1;000) | ✗ | 27/01/17 |
| SrSiPd | ICSD | 69791 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.492 | ? | ✗ | 06/10/16 |
| TiAg | ICSD | 605934 | P4/nmm (129) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.673 | (0;001) | ✗ | 05/01/17 |
| ScSi | ICSD | 42946 | Cmcm (63) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.706 | (0;110) | ✗ | 06/10/16 |
| CdTe | ICSD | 620523 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.272 | (1;000) | ✗ | 06/10/16 |
| MnAsRu | ICSD | 44004 | P-62m (189) | ✗ | 9 | 108 | 3 | 0.0 | 0.000 | 0.431 | ? | ✗ | 06/10/16 |
| Zr6Sb2Pt | ICSD | 157366 | P-62m (189) | ✗ | 9 | 44 | 3 | 0.0 | 0.000 | 0.847 | (0;000) | ✔ | 06/10/16 |
| MnAu | ICSD | 109348 | Pm-3m (221) | ✔ | 2 | 26 | 3 | 0.0 | 0.000 | 0.798 | (1;111) | ✗ | 05/01/17 |
| YCd3 | ICSD | 102086 | Ccmm (63) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.845 | (1;110) | ✗ | 06/10/16 |
| LaPt | ICSD | 641688 | Ccmm (63) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.831 | (0;110) | ✗ | 06/10/16 |
| Hf3Sc | ICSD | 168284 | Ccmm (63) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.590 | (1;110) | ✗ | 06/10/16 |
| YAlNi | ICSD | 608957 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.898 | ? | ✗ | 06/10/16 |
| CdAu | COD | 1510072 | Pmma (51) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.870 | (1;000) | ✗ | 05/01/17 |
| ScGe2 | ICSD | 637830 | Cmcm (63) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.822 | (0;000) | ✗ | 06/10/16 |
| Mg3Ge | ICSD | 70070 | P-1 (2) | ✔ | 8 | 68 | 1 | 0.0 | 0.000 | 0.605 | (0;000) | ✗ | 06/10/16 |
| ScCu | COD | 1523972 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.621 | (0;111) | ✗ | 27/01/17 |
| In(GaAu)2 | ICSD | 190987 | P6_3/mmc (194) | ✔ | 10 | 122 | 3 | 0.0 | 0.000 | 0.878 | (1;000) | ✗ | 05/01/17 |
| Ca3SbN | COD | 1527234 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 0.0 | 0.000 | 0.154 | (0;000) | ✗ | 27/01/17 |
| FeN | COD | 1524693 | P6_3/mmc (194) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.679 | (0;000) | ✗ | 27/01/17 |
| NiSbS | ICSD | 44606 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.571 | ? | ✗ | 06/10/16 |
| Nb4SiCu | ICSD | 628492 | P4/mcc (124) | ✔ | 12 | 134 | 3 | 0.0 | 0.000 | 0.698 | (1;110) | ✗ | 27/01/17 |