| ▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| BaBePO4F | ICSD | 200922 | P1 (1) | ✗ | 16 | 100 | 1 | 6.2132 | 6.473 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BaSbClO2 | ICSD | 200962 | Cmcm (63) | ✔ | 10 | 68 | 1 | 0.8819 | 2.937 | 1.000 | (0;000) | ✗ | 02/02/17 |
| Li2ReO3 | ICSD | 200999 | R3c (161) | ✗ | 12 | 78 | 3 | 0.0 | 0.001 | 0.327 | (0;111) | ✔ | 05/12/16 |
| Ag3SI | ICSD | 201005 | R3 (146) | ✗ | 5 | 46 | 3 | 0.4545 | 1.022 | 0.000 | (0;000) | ✔ | 28/11/16 |
| LiTlPHO3 | ICSD | 201040 | C2 (5) | ✗ | 14 | 80 | 1 | 3.4505 | 3.514 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Bi2S3 | ICSD | 201066 | Pmcn (62) | ✔ | 20 | 112 | 2 | 0.9742 | 1.010 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K3Ta3(BO6)2 | ICSD | 201143 | P-62m (189) | ✗ | 20 | 144 | 3 | 2.8089 | 2.897 | 0.000 | (0;000) | ✗ | 21/03/17 |
| TlGeI3 | ICSD | 201144 | Pnma (62) | ✔ | 20 | 152 | 2 | 1.6566 | 1.729 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaLi3(H2N)4 | ICSD | 201148 | I-4 (82) | ✗ | 16 | 46 | 1 | 3.1757 | 3.289 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KTeOF3 | ICSD | 201155 | P2_1 (4) | ✗ | 12 | 84 | 1 | 1.8951 | 2.024 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SnC2(SN)2 | ICSD | 201193 | P-1 (2) | ✔ | 14 | 88 | 1 | 2.4482 | 2.511 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ir | ICSD | 201258 | Pmma (51) | ✔ | 2 | 34 | 1 | 0.0 | 0.000 | 0.997 | (0;000) | ✗ | 02/02/17 |
| AgCSN | ICSD | 201359 | Pnnm (58) | ✔ | 16 | 104 | 3 | 2.3726 | 2.373 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TeSeO4 | ICSD | 201413 | P1 (1) | ✗ | 12 | 72 | 3 | 3.0537 | 3.293 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AuCl2 | ICSD | 201436 | P-1 (2) | ✔ | 12 | 100 | 1 | 0.7861 | 1.208 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrCa(CO3)2 | ICSD | 201461 | Pmc2_1 (26) | ✗ | 20 | 128 | 1 | 4.2035 | 4.204 | 0.000 | (0;000) | ✗ | 21/03/17 |
| InI2 | ICSD | 201607 | Pnna (52) | ✔ | 24 | 216 | 1 | 1.6982 | 1.707 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ba2WO3F4 | ICSD | 201653 | Cc (9) | ✗ | 20 | 188 | 1 | 2.9569 | 2.976 | 0.000 | (0;000) | ✗ | 11/04/17 |
| BH2S3N3F4 | ICSD | 201705 | P1 (1) | ✗ | 13 | 66 | 1 | 2.3977 | 2.402 | 0.000 | (0;000) | ✗ | 21/03/17 |
| TlV2AgO6 | ICSD | 201934 | C2/c (15) | ✔ | 20 | 172 | 3 | 2.1923 | 2.201 | 0.000 | (0;000) | ✗ | 30/01/17 |
| ZrP2(HO3)2 | ICSD | 201970 | P-3m1 (164) | ✔ | 11 | 52 | 3 | 4.1243 | 4.124 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sc7NCl12 | ICSD | 201976 | R-3 (148) | ✔ | 20 | 166 | 3 | 0.0 | 0.037 | 0.019 | (1;111) | ✗ | 02/02/17 |
| Sc4NCl6 | ICSD | 201978 | Pbam (55) | ✔ | 22 | 182 | 3 | 0.0 | 0.000 | 0.970 | (0;000) | ✗ | 07/08/17 |
| VAg(PS3)2 | ICSD | 202045 | P2/c (13) | ✔ | 20 | 140 | 2 | 0.0 | 0.006 | 0.301 | (0;000) | ✗ | 30/01/17 |
| Rb2IN3 | ICSD | 202078 | P4/mbm (127) | ✔ | 12 | 80 | 1 | 3.9037 | 3.904 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sc7CoI12 | ICSD | 202109 | R-3 (148) | ✔ | 20 | 178 | 3 | 0.0753 | 0.150 | 0.000 | (0;000) | ✗ | 22/03/17 |
| FeMoClO4 | ICSD | 202186 | P4/nmm (129) | ✔ | 14 | 106 | 3 | 0.0 | 0.000 | 0.921 | (1;000) | ✗ | 02/02/17 |
| Ba4Li(SbO4)3 | ICSD | 202200 | Im-3m (229) | ✔ | 20 | 130 | 3 | 2.0478 | 2.129 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ReO3 | ICSD | 202338 | P6_322 (182) | ✗ | 8 | 66 | 3 | 0.0 | 0.001 | 0.569 | (1;101) | ✔ | 06/10/16 |
| WS2 | ICSD | 202367 | R3m (160) | ✗ | 3 | 26 | 2 | 0.8802 | 1.635 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaCu(SeO3)2 | ICSD | 202388 | C2/c (15) | ✔ | 20 | 138 | 2 | 0.0 | 0.000 | 0.983 | (1;101) | ✗ | 02/02/17 |
| SrCu(SeO3)2 | ICSD | 202389 | C2/c (15) | ✔ | 20 | 138 | 2 | 0.0 | 0.001 | 0.987 | (1;011) | ✗ | 02/02/17 |
| PtO2 | ICSD | 202407 | Pmnn (58) | ✔ | 6 | 44 | 3 | 0.4791 | 0.746 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BH6CN3F4 | ICSD | 202434 | R3m (160) | ✗ | 15 | 56 | 1 | 6.1298 | 6.130 | 0.000 | (0;000) | ✗ | 15/02/17 |
| AgO | ICSD | 202543 | P2_1/c (14) | ✔ | 8 | 68 | 3 | 0.1696 | 0.666 | 0.000 | (0;000) | ✔ | 06/10/16 |
| GeF4 | ICSD | 202558 | I-43m (217) | ✗ | 5 | 32 | 1 | 6.2961 | 6.758 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ta6S | ICSD | 202564 | P-1 (2) | ✔ | 14 | 168 | 3 | 0.0 | 0.020 | 0.355 | (1;100) | ✗ | 02/02/17 |
| Li2RuO3 | ICSD | 202611 | C2/m (12) | ✔ | 12 | 80 | 2 | 0.0 | 0.087 | 0.084 | (0;001) | ✗ | 04/08/17 |
| MgMoH2O5 | ICSD | 202695 | P-1 (2) | ✔ | 18 | 112 | 3 | 4.2496 | 4.341 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsSb(PO4)2 | ICSD | 202813 | P-3 (147) | ✔ | 12 | 72 | 2 | 3.6081 | 3.731 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Si2N2O | ICSD | 202830 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2062 | 5.206 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Si2N2O | ICSD | 202831 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2688 | 5.269 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CsV(MoO4)2 | ICSD | 202907 | P-3m1 (164) | ✔ | 12 | 98 | 2 | 0.0 | 0.034 | 0.482 | (0;000) | ✗ | 02/02/17 |
| Li5BiO5 | ICSD | 203031 | Cm (8) | ✗ | 11 | 50 | 2 | 1.5359 | 1.767 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Hg2TeO3 | ICSD | 203064 | P2cm (28) | ✗ | 12 | 96 | 3 | 1.6381 | 2.000 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrI2 | ICSD | 203137 | Pnma (62) | ✔ | 12 | 96 | 1 | 3.5183 | 3.518 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl2Hg2PdCl8 | ICSD | 203186 | C2/m (12) | ✔ | 13 | 124 | 1 | 1.6229 | 1.675 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2Hg2PdCl8 | ICSD | 203187 | C2/m (12) | ✔ | 13 | 116 | 1 | 1.737 | 1.763 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2Hg2PdBr8 | ICSD | 203188 | C2/m (12) | ✔ | 13 | 116 | 1 | 1.533 | 1.584 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PI2 | ICSD | 203216 | P-1 (2) | ✔ | 6 | 38 | 1 | 1.5597 | 1.560 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZnSi(CuS2)2 | ICSD | 236248 | Pc (7) | ✗ | 16 | 124 | 3 | 1.684 | 1.684 | 0.000 | (0;000) | ✗ | 22/03/17 |
| AgMoH4S4N | ICSD | 236249 | I-4 (82) | ✗ | 11 | 58 | 1 | 1.307 | 1.586 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SnBi4Te7 | ICSD | 236253 | P-3m1 (164) | ✔ | 12 | 116 | 3 | 0.0129 | 0.135 | 0.000 | (1;001) | ✗ | 02/02/17 |
| BaLi2Mg(PO4)2 | ICSD | 236294 | P-3 (147) | ✔ | 14 | 84 | 2 | 5.9892 | 6.088 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba(CuSb)2 | ICSD | 236308 | P4/nmm (129) | ✔ | 10 | 84 | 3 | 0.0 | 0.010 | 0.517 | (1;000) | ✗ | 02/02/17 |
| YCrO3 | ICSD | 236372 | Pnma (62) | ✔ | 20 | 172 | 3 | 0.0 | 0.001 | 0.458 | (0;110) | ✗ | 02/02/17 |
| CoBi3 | ICSD | 236383 | Pmnb (62) | ✔ | 16 | 96 | 3 | 0.0 | 0.031 | 0.777 | (1;000) | ✗ | 06/10/16 |
| CoH2(CN2)2 | ICSD | 236414 | Pnnm (58) | ✔ | 18 | 94 | 3 | 0.0 | 0.000 | 0.782 | (0;000) | ✗ | 27/01/17 |
| KNa2BN2 | ICSD | 236557 | I4/mmm (139) | ✔ | 6 | 40 | 1 | 1.9048 | 2.280 | 0.000 | (0;000) | ✗ | 05/01/17 |
| V2Cu3Sb4 | ICSD | 236572 | P6_3/mmc (194) | ✔ | 18 | 158 | 3 | 0.0 | 0.000 | 0.941 | (1;000) | ✗ | 02/02/17 |
| Pd2N | ICSD | 236605 | P4/mmm (123) | ✔ | 6 | 50 | 3 | 0.0 | 0.020 | 0.753 | (0;111) | ✗ | 06/10/16 |
| Sn | ICSD | 236751 | Im-3m (229) | ✔ | 1 | 14 | 3 | 0.0 | 0.000 | 0.755 | (1;111) | ✗ | 27/01/17 |
| ScN | ICSD | 236779 | F-43m (216) | ✗ | 2 | 16 | 3 | 2.424 | 2.424 | 0.000 | (0;000) | ✗ | 06/10/16 |
| VN | ICSD | 236783 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.388 | (1;000) | ✔ | 06/10/16 |
| MnN | ICSD | 236787 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.0222 | 0.393 | 0.000 | (0;000) | ✔ | 04/10/16 |
| MnN | ICSD | 236808 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.0 | 0.000 | 0.287 | (1;000) | ✗ | 27/01/17 |
| O2 | ICSD | 236857 | C2/m (12) | ✔ | 8 | 48 | 1 | 0.0 | 0.401 | 0.146 | (0;000) | ✗ | 27/01/17 |
| CsSnF3 | ICSD | 236903 | P2_1/c (14) | ✔ | 20 | 176 | 1 | 3.7279 | 3.733 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CO2 | ICSD | 236929 | Pbcn (60) | ✔ | 12 | 64 | 1 | 0.0 | 0.002 | 0.536 | (0;000) | ✗ | 27/01/17 |
| LiB | ICSD | 236960 | P6_3/mmc (194) | ✔ | 4 | 12 | 1 | 0.0 | 0.002 | 0.218 | (0;000) | ✗ | 27/01/17 |
| LiB | ICSD | 236961 | Pbmm (51) | ✔ | 8 | 24 | 2 | 0.0 | 0.004 | 0.395 | (0;001) | ✗ | 06/10/16 |
| BN | ICSD | 236992 | P6_3/mmc (194) | ✔ | 4 | 16 | 2 | 4.2811 | 4.562 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BeSiP2 | ICSD | 237066 | I-42d (122) | ✗ | 8 | 36 | 3 | 1.1465 | 1.147 | 0.000 | (0;000) | ✗ | 07/10/16 |
| BeSiAs2 | ICSD | 237067 | I-42d (122) | ✗ | 8 | 36 | 3 | 0.8099 | 0.810 | 0.000 | (0;000) | ✗ | 07/10/16 |
| BeSiSb2 | ICSD | 237068 | I-42d (122) | ✗ | 8 | 36 | 3 | 0.0 | 0.476 | 0.018 | (0;000) | ✔ | 07/10/16 |
| MgSiSb2 | ICSD | 237069 | I-42d (122) | ✗ | 8 | 48 | 3 | 0.0393 | 0.039 | 0.000 | (0;000) | ✔ | 07/10/16 |
| BH6N | ICSD | 237078 | Cmc2_1 (36) | ✗ | 16 | 28 | 1 | 5.397 | 5.563 | 0.000 | (0;000) | ✗ | 15/02/17 |
| FeBiO3 | ICSD | 237080 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.512 | ? | ✗ | 06/10/16 |
| BaTiO3 | ICSD | 237106 | Cm2m (38) | ✗ | 5 | 40 | 3 | 1.9647 | 2.195 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaTiO3 | ICSD | 237109 | Cm2m (38) | ✗ | 5 | 40 | 3 | 1.7918 | 1.910 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiH2N | ICSD | 237214 | Pbcm (57) | ✔ | 16 | 40 | 3 | 6.1225 | 6.972 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiH2N | ICSD | 237215 | Pnma (62) | ✔ | 16 | 40 | 3 | 4.5918 | 5.473 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaSi6 | ICSD | 237248 | Cmcm (63) | ✔ | 14 | 66 | 3 | 0.0 | 0.000 | 0.792 | (0;111) | ✗ | 02/02/17 |
| YScO3 | ICSD | 237285 | Pnma (62) | ✔ | 20 | 160 | 3 | 4.5155 | 4.516 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScRhO3 | ICSD | 237350 | P2_1/m (11) | ✔ | 20 | 184 | 3 | 0.8501 | 0.875 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InRhO3 | ICSD | 237351 | Pnma (62) | ✔ | 20 | 192 | 3 | 0.3662 | 0.493 | 0.000 | (0;000) | ✗ | 02/02/17 |
| FeBiO3 | ICSD | 237367 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.527 | ? | ✗ | 06/10/16 |
| FeBiO3 | ICSD | 237368 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.519 | ? | ✗ | 06/10/16 |
| Rb2Ag2GeS4 | ICSD | 237456 | C2/c (15) | ✔ | 18 | 136 | 1 | 2.0937 | 2.162 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CaV4(PdO4)3 | ICSD | 237495 | Im3 (204) | ✔ | 20 | 188 | 3 | 0.0 | 0.000 | 0.826 | (0;111) | ✗ | 02/02/17 |
| ZrTl2PbS4 | ICSD | 237507 | C2/c (15) | ✔ | 16 | 136 | 3 | 0.5808 | 1.368 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrTl2PbSe4 | ICSD | 237508 | C2/c (15) | ✔ | 16 | 136 | 3 | 0.0 | 0.930 | 0.030 | (0;000) | ✗ | 02/02/17 |
| HfTl2PbS4 | ICSD | 237509 | C2/c (15) | ✔ | 16 | 152 | 3 | 0.5954 | 1.532 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HfTl2PbSe4 | ICSD | 237510 | C2/c (15) | ✔ | 16 | 152 | 3 | 0.0 | 1.220 | 0.059 | (0;000) | ✗ | 02/02/17 |
| MnIn2NiO6 | ICSD | 237528 | P2_1/c (14) | ✔ | 20 | 174 | 3 | 0.0 | 0.000 | 0.755 | (1;111) | ✗ | 02/02/17 |
| FeBiO3 | ICSD | 237538 | P1 (1) | ✗ | 10 | 62 | 3 | 0.0 | 0.035 | 0.569 | (0;001) | ✔ | 06/10/16 |
| Sr2NiClO3 | ICSD | 237581 | P4/nmm (129) | ✔ | 14 | 110 | 1 | 0.0 | 0.000 | 0.901 | (0;000) | ✗ | 02/02/17 |
| Hg3Bi2(SCl4)2 | ICSD | 237618 | C2/m (12) | ✔ | 15 | 134 | 3 | 2.5966 | 2.597 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaOsO3 | ICSD | 237730 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.0 | 0.264 | 0.690 | (0;000) | ✗ | 05/01/17 |
| SrOsO3 | ICSD | 237731 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.0 | 0.009 | 0.549 | (0;000) | ✗ | 02/02/17 |