| ▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ca(MgAs)2 | COD | 7221199 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 1.1991 | 1.610 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca(MgSb)2 | COD | 7221200 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 0.6319 | 1.298 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr(MgSb)2 | COD | 7221201 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 0.7472 | 1.394 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba(MgSb)2 | COD | 7221202 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 0.6084 | 1.317 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca(MgBi)2 | COD | 7221203 | P-3m1 (164) | ✔ | 5 | 60 | 2 | 0.0171 | 0.017 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba(MgBi)2 | COD | 7221204 | P-3m1 (164) | ✔ | 5 | 60 | 2 | 0.0 | 0.010 | 0.011 | (0;000) | ✗ | 05/01/17 |
| Sr3As4 | COD | 7221205 | Fdd2 (43) | ✗ | 14 | 100 | 1 | 0.5938 | 0.831 | 0.000 | (0;000) | ✗ | 21/03/17 |
| KSbSe2 | COD | 7221206 | P-1 (2) | ✔ | 16 | 104 | 1 | 1.4458 | 1.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba5Sn3 | COD | 7221208 | I4/mcm (140) | ✔ | 16 | 184 | 1 | 0.0 | 0.021 | 0.569 | (0;111) | ✗ | 02/02/17 |
| SrGe2 | COD | 7221212 | P-3m1 (164) | ✔ | 3 | 18 | 2 | 0.0 | 0.082 | 0.109 | (1;001) | ✗ | 27/01/17 |
| Ca(ZnP)2 | COD | 7221217 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.8628 | 0.990 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca(CdP)2 | COD | 7221218 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.8743 | 0.874 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca(ZnAs)2 | COD | 7221219 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.3342 | 0.334 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca(CdAs)2 | COD | 7221220 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.2066 | 0.207 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ReNCl4 | COD | 7221223 | P1 (1) | ✗ | 6 | 48 | 1 | 1.2934 | 1.382 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsAlF4 | COD | 7221224 | P-62m (189) | ✗ | 18 | 120 | 1 | 7.242 | 7.254 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Na2CdPb | COD | 7221226 | F-43m (216) | ✗ | 4 | 44 | 3 | 0.0 | 0.000 | 0.323 | (1;000) | ✔ | 15/02/17 |
| Na2CdSn | COD | 7221227 | P6_3/mmc (194) | ✔ | 8 | 88 | 1 | 0.0 | 0.037 | 0.109 | (0;000) | ✗ | 02/02/17 |
| SrCuSn2 | COD | 7221228 | Cmcm (63) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.797 | (1;110) | ✗ | 02/02/17 |
| Li2Sb | COD | 7221229 | P-62c (190) | ✗ | 18 | 66 | 1 | 0.0 | 0.000 | 0.835 | ? | ✗ | 29/03/17 |
| Li2Ga | COD | 7221230 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.778 | (1;000) | ✗ | 27/01/17 |
| NiHg | COD | 7221237 | P4/mmm (123) | ✔ | 2 | 22 | 3 | 0.0 | 0.006 | 0.723 | (0;000) | ✗ | 27/01/17 |
| AlTlSe2 | COD | 7221238 | I4/mcm (140) | ✔ | 8 | 56 | 1 | 0.25 | 0.277 | 0.000 | (0;000) | ✗ | 30/01/17 |
| TlGaSe2 | COD | 7221239 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 0.2788 | 0.280 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2CuF6 | COD | 7221242 | Cmce (64) | ✔ | 18 | 146 | 1 | 0.0 | 0.000 | 0.956 | (0;110) | ✗ | 02/02/17 |
| Tl4PbI6 | COD | 7221245 | Pbam (55) | ✔ | 22 | 216 | 3 | 1.6709 | 1.674 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Li3Tl | COD | 7221247 | Fm-3m (225) | ✔ | 4 | 22 | 1 | 0.0 | 0.000 | 0.826 | (0;000) | ✗ | 27/01/17 |
| LiBeAs | COD | 7221252 | P4/nmm (129) | ✔ | 6 | 24 | 1 | 0.8927 | 1.201 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NaBeAs | COD | 7221253 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 1.1981 | 1.310 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NaBeSb | COD | 7221254 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 0.6881 | 1.361 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ZnBi | COD | 7221256 | P6_3mc (186) | ✗ | 4 | 54 | 3 | 0.0 | 0.000 | 0.710 | ? | ✗ | 15/02/17 |
| LiFe6Ge5 | COD | 7221260 | C2/m (12) | ✔ | 24 | 142 | 3 | 0.0 | 0.005 | 0.844 | (0;001) | ✗ | 04/08/17 |
| NaAlSi | COD | 7221265 | P4/nmm (129) | ✔ | 6 | 32 | 1 | 0.0 | 0.002 | 0.188 | (0;000) | ✗ | 05/01/17 |
| NaAlGe | COD | 7221266 | P4/nmm (129) | ✔ | 6 | 32 | 1 | 0.0 | 0.008 | 0.128 | (0;000) | ✗ | 05/01/17 |
| Ca3(AlSi)2 | COD | 7221267 | Immm (71) | ✔ | 7 | 44 | 1 | 0.0 | 0.003 | 0.678 | (1;111) | ✗ | 05/01/17 |
| Sr3(AlSi)2 | COD | 7221268 | Immm (71) | ✔ | 7 | 44 | 1 | 0.0 | 0.012 | 0.570 | (1;111) | ✗ | 05/01/17 |
| Ba3(AlSi)2 | COD | 7221269 | Immm (71) | ✔ | 7 | 44 | 1 | 0.0 | 0.017 | 0.434 | (1;000) | ✗ | 30/01/17 |
| Mo3Pd2N | COD | 7221282 | P4_132 (213) | ✗ | 24 | 332 | 3 | 0.0 | 0.000 | 0.495 | ? | ✗ | 04/08/17 |
| TlNiO3 | COD | 7221317 | Pnma (62) | ✔ | 20 | 164 | 3 | 0.0 | 0.001 | 0.512 | (0;110) | ✗ | 02/02/17 |
| Ti3AlC2 | COD | 7221324 | P6_3/mmc (194) | ✔ | 12 | 94 | 3 | 0.0 | 0.000 | 0.995 | (1;000) | ✗ | 27/01/17 |
| BaLi2Si | COD | 7221325 | Pmmn (59) | ✔ | 8 | 40 | 1 | 0.0 | 0.011 | 0.141 | (0;000) | ✗ | 05/01/17 |
| TlHg5Cl11 | COD | 7221334 | C2/m (12) | ✔ | 17 | 150 | 3 | 2.8327 | 3.194 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Be2Fe | COD | 7221338 | P6_3/mmc (194) | ✔ | 12 | 64 | 3 | 0.0 | 0.002 | 0.583 | (1;000) | ✗ | 05/01/17 |
| Sr5Sn3 | COD | 7221339 | I4/mcm (140) | ✔ | 16 | 184 | 1 | 0.0 | 0.010 | 0.691 | (1;000) | ✗ | 02/02/17 |
| Ba(SiNi)2 | COD | 7221340 | Cmcm (63) | ✔ | 10 | 76 | 3 | 0.0 | 0.019 | 0.577 | (1;000) | ✗ | 05/01/17 |
| Tl2Sn2S5 | COD | 7221342 | C2/c (15) | ✔ | 18 | 168 | 3 | 1.4213 | 1.473 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaGe2 | COD | 7221343 | I4_1/amd (141) | ✔ | 6 | 36 | 3 | 0.0 | 0.005 | 0.182 | (1;111) | ✗ | 05/01/17 |
| Sn4SI6 | COD | 7221344 | C2/m (12) | ✔ | 22 | 208 | 3 | 1.0535 | 1.123 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Li7SbO6 | COD | 7221349 | R3 (146) | ✗ | 14 | 62 | 1 | 3.0683 | 3.108 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ba(ZnP)2 | COD | 7221353 | I4/mmm (139) | ✔ | 5 | 44 | 2 | 0.0 | 0.286 | 0.109 | (0;000) | ✗ | 05/01/17 |
| Ba(ZnAs)2 | COD | 7221354 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.1744 | 0.174 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ba2MnTe3 | COD | 7221357 | Pnma (62) | ✔ | 24 | 212 | 1 | 0.0 | 0.001 | 0.869 | (1;011) | ✗ | 04/08/17 |
| RbGeCl3 | COD | 7221358 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.6922 | 3.704 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca(ZnSb)2 | COD | 7221359 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.025 | 0.103 | (0;000) | ✗ | 27/01/17 |
| Ca(CdSb)2 | COD | 7221360 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.081 | 0.045 | (0;000) | ✗ | 27/01/17 |
| Sr(ZnSb)2 | COD | 7221361 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.001 | 0.132 | (0;000) | ✗ | 27/01/17 |
| Sr(CdSb)2 | COD | 7221362 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.015 | 0.080 | (0;000) | ✗ | 27/01/17 |
| Zn(InS2)2 | COD | 7221365 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.5331 | 0.729 | 0.000 | (0;000) | ✗ | 02/02/17 |
| In2S3 | COD | 7221366 | R-3c (167) | ✔ | 10 | 88 | 3 | 0.5499 | 0.778 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2P2Pd | COD | 7221367 | Cmcm (63) | ✔ | 10 | 92 | 2 | 0.4933 | 0.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2CuP | COD | 7221368 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.6224 | 0.756 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaZnSb | COD | 7221369 | P4/nmm (129) | ✔ | 6 | 52 | 1 | 0.0 | 0.025 | 0.097 | (0;000) | ✗ | 27/01/17 |
| NaCuSe | COD | 7221370 | P4/nmm (129) | ✔ | 6 | 52 | 1 | 0.0 | 0.003 | 0.012 | (1;000) | ✗ | 27/01/17 |
| NaCuTe | COD | 7221371 | P4/nmm (129) | ✔ | 6 | 52 | 1 | 0.4336 | 0.434 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KCuSe | COD | 7221372 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.242 | 0.242 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KCuTe | COD | 7221373 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.5401 | 0.540 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KZnP | COD | 7221374 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.9058 | 0.906 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KZnSb | COD | 7221375 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.3531 | 0.353 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K3Cu3P2 | COD | 7221376 | R-3m (166) | ✔ | 8 | 70 | 2 | 1.2649 | 1.324 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaNa2 | COD | 7221378 | P6_3/mmc (194) | ✔ | 12 | 112 | 1 | 0.0 | 0.002 | 0.455 | (1;000) | ✗ | 02/02/17 |
| S3(NO)2 | COD | 7221380 | C2/c (15) | ✔ | 14 | 80 | 1 | 1.5897 | 1.717 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlPbI3 | COD | 7221381 | Cmcm (63) | ✔ | 10 | 96 | 3 | 1.3367 | 1.337 | 0.000 | (0;000) | ✗ | 02/02/17 |
| S3(NO)2 | COD | 7221393 | C2/c (15) | ✔ | 14 | 80 | 1 | 1.241 | 1.348 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GaTeCl | COD | 7221395 | Pnnm (58) | ✔ | 12 | 104 | 2 | 2.0533 | 2.053 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbSb | COD | 7221396 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.5751 | 0.578 | 0.000 | (0;000) | ✗ | 29/03/17 |
| CsSb | COD | 7221397 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.5327 | 0.536 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Ca4Sb2O | COD | 7221475 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 0.7252 | 0.988 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaSe2 | COD | 7221479 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.009 | 1.076 | 0.000 | (0;000) | ✗ | 05/01/17 |
| C5NCl5 | COD | 7221875 | Pc (7) | ✗ | 22 | 120 | 1 | 3.4089 | 3.409 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsGaCl4 | COD | 7221990 | Pnma (62) | ✔ | 24 | 200 | 1 | 4.7858 | 4.786 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CdCN2 | COD | 7222161 | R-3m (166) | ✔ | 4 | 26 | 3 | 2.4076 | 2.566 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaCdAs | COD | 7222182 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.018 | 0.009 | (1;000) | ✗ | 30/01/17 |
| TlCdSb | COD | 7222183 | Pnma (62) | ✔ | 12 | 120 | 3 | 0.0 | 0.171 | 0.117 | (0;000) | ✗ | 02/02/17 |
| Ca2Os2O7 | COD | 7222203 | Imma (74) | ✔ | 22 | 188 | 3 | 0.0 | 0.017 | 0.323 | (1;111) | ✗ | 07/08/17 |
| Sr3(AlSn)2 | COD | 7222228 | Immm (71) | ✔ | 7 | 64 | 1 | 0.0 | 0.003 | 0.603 | (1;111) | ✗ | 30/01/17 |
| Ba3(AlSn)2 | COD | 7222229 | Immm (71) | ✔ | 7 | 64 | 1 | 0.0 | 0.036 | 0.481 | (1;111) | ✗ | 30/01/17 |
| Ag2MoO4 | COD | 7222296 | Fd-3m (227) | ✔ | 14 | 120 | 3 | 2.0383 | 2.038 | 0.000 | (0;000) | ✗ | 30/01/17 |
| NiBiO3 | COD | 7222310 | P-1 (2) | ✔ | 20 | 172 | 3 | 0.0 | 0.013 | 0.141 | (0;000) | ✗ | 02/02/17 |
| Hg(IO3)2 | COD | 7222313 | P2_1 (4) | ✗ | 18 | 124 | 3 | 2.7773 | 2.779 | 0.000 | (0;000) | ✗ | 29/03/17 |
| YNi4B | COD | 8000084 | P6/mmm (191) | ✔ | 12 | 108 | 3 | 0.0 | 0.007 | 0.649 | (0;000) | ✗ | 27/01/17 |
| ZrBi | COD | 8100032 | Cmcm (63) | ✔ | 12 | 114 | 3 | 0.0 | 0.000 | 0.692 | (1;110) | ✗ | 02/02/17 |
| VSb2 | COD | 8100157 | I4/mcm (140) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.536 | (1;000) | ✗ | 27/01/17 |
| KAg2AsO4 | COD | 8100228 | I-42m (121) | ✗ | 8 | 60 | 3 | 0.2946 | 1.061 | 0.000 | (0;000) | ✔ | 16/03/17 |
| Rb2SiS3 | COD | 8100236 | C2/m (12) | ✔ | 12 | 80 | 1 | 2.8708 | 2.943 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GaHO2 | COD | 8100298 | Pnma (62) | ✔ | 16 | 104 | 3 | 3.5929 | 3.638 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2WCl6 | COD | 8100301 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 0.0 | 0.000 | 0.200 | (0;000) | ✗ | 02/02/17 |
| Al4CN3O | COD | 8100308 | Cmc2_1 (36) | ✗ | 18 | 74 | 3 | 0.0 | 0.000 | 0.704 | ? | ✗ | 21/03/17 |
| KBi(PS3)2 | COD | 8100356 | P2_1 (4) | ✗ | 20 | 140 | 2 | 1.6544 | 1.819 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Hg3(BO3)2 | COD | 8100358 | R-3c (167) | ✔ | 22 | 156 | 3 | 2.6912 | 2.695 | 0.000 | (0;000) | ✗ | 07/08/17 |
| AgCSN | COD | 8100412 | C2/c (15) | ✔ | 16 | 104 | 3 | 2.0827 | 2.362 | 0.000 | (0;000) | ✗ | 02/02/17 |