| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| SnTe | ICSD | 52489 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.1897 | 0.223 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BC2N | ICSD | 191802 | P1 (1) | ✗ | 8 | 32 | 3 | 0.1899 | 0.191 | 0.000 | (0;000) | ✔ | 06/10/16 |
| KAlSb4 | ICSD | 300157 | Pnma (62) | ✔ | 24 | 128 | 3 | 0.1904 | 0.190 | 0.000 | (0;000) | ✗ | 04/08/17 |
| InAgO2 | COD | 1509396 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.1911 | 0.864 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CaB6 | COD | 1011310 | Pm-3m (221) | ✔ | 7 | 28 | 3 | 0.1914 | 0.191 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KNaMo(OF2)2 | ICSD | 422707 | P4/nmm (129) | ✔ | 18 | 144 | 1 | 0.1915 | 0.195 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiFePO4 | ICSD | 97766 | Cmcm (63) | ✔ | 14 | 80 | 3 | 0.1926 | 0.307 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Te8RuCl2 | ICSD | 422366 | C2/c (15) | ✔ | 22 | 156 | 2 | 0.1936 | 0.197 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Zn(PtO2)3 | ICSD | 35339 | Cmmm (65) | ✔ | 10 | 78 | 3 | 0.1944 | 0.194 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TiBrN | ICSD | 27395 | Pmmn (59) | ✔ | 6 | 48 | 2 | 0.1946 | 0.195 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrAgP | COD | 7209350 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.1954 | 0.195 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SnTe | COD | 9008726 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.1954 | 0.233 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AlAsO4 | ICSD | 24512 | I-4 (82) | ✗ | 6 | 32 | 3 | 0.1966 | 0.197 | 0.000 | (0;000) | ✔ | 06/10/16 |
| RbAu | COD | 1517938 | Pm-3m (221) | ✔ | 2 | 20 | 1 | 0.1979 | 1.158 | 0.000 | (0;000) | ✗ | 05/01/17 |
| AgBiS2 | COD | 9011024 | R-3m (166) | ✔ | 4 | 38 | 3 | 0.198 | 0.737 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BiRhSe | ICSD | 617014 | P2_13 (198) | ✗ | 12 | 152 | 3 | 0.1987 | 0.640 | 0.000 | (0;000) | ✔ | 11/04/17 |
| ZrTlCuSe3 | ICSD | 82561 | Cmcm (63) | ✔ | 12 | 92 | 3 | 0.1992 | 0.238 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsAg3Se2 | COD | 1509996 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.1996 | 0.200 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Te2Ru | COD | 1528256 | Pnnm (58) | ✔ | 6 | 56 | 3 | 0.2 | 1.021 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2Ag4S3 | COD | 8100498 | C2/m (12) | ✔ | 18 | 160 | 1 | 0.2015 | 0.202 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CoSbS | ICSD | 624863 | Pbca (61) | ✔ | 24 | 224 | 3 | 0.2044 | 0.263 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaCaSn | ICSD | 58641 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.2045 | 0.227 | 0.000 | (0;000) | ✗ | 02/02/17 |
| In5AgSe8 | COD | 1509418 | P-42m (111) | ✗ | 14 | 124 | 3 | 0.2057 | 0.231 | 0.000 | (0;000) | ✔ | 13/04/17 |
| SiSbPt | ICSD | 413194 | Pbca (61) | ✔ | 24 | 152 | 3 | 0.2057 | 0.310 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2SrCdSb2 | ICSD | 422273 | Pmc2_1 (26) | ✗ | 12 | 100 | 1 | 0.2064 | 0.207 | 0.000 | (0;000) | ✔ | 22/03/17 |
| RbAg3Te2 | COD | 1510038 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.2065 | 0.207 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ca(CdAs)2 | COD | 7221220 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.2066 | 0.207 | 0.000 | (0;000) | ✗ | 05/01/17 |
| TlS | ICSD | 651247 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 0.2067 | 0.589 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiCaSb | ICSD | 52775 | Pnma (62) | ✔ | 12 | 72 | 1 | 0.2069 | 0.231 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sb2TeSe2 | ICSD | 60963 | R3m (160) | ✗ | 5 | 28 | 2 | 0.2074 | 0.207 | 0.000 | (1;000) | ✔ | 06/10/16 |
| PbSe | COD | 9008695 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.2077 | 0.208 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Zr6CI12 | ICSD | 60918 | R-3 (148) | ✔ | 19 | 112 | 3 | 0.2079 | 0.289 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InFeBr3 | ICSD | 75469 | Pnma (62) | ✔ | 20 | 168 | 3 | 0.209 | 0.339 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cl2 | COD | 9015583 | P4_2/ncm (138) | ✔ | 16 | 112 | 1 | 0.2095 | 0.551 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na4CdP2 | ICSD | 67262 | R-3m (166) | ✔ | 7 | 58 | 1 | 0.2097 | 0.314 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KZnAs | ICSD | 43985 | P-6m2 (187) | ✗ | 3 | 26 | 2 | 0.2099 | 0.326 | 0.000 | (0;000) | ✔ | 06/10/16 |
| LiFeAs | ICSD | 187132 | I4mm (107) | ✗ | 3 | 16 | 3 | 0.2109 | 0.457 | 0.000 | (0;000) | ✔ | 07/10/16 |
| Sr(ZnAs)2 | ICSD | 23248 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.2109 | 0.211 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca(GaP)2 | ICSD | 422525 | P6_3/mmc (194) | ✔ | 10 | 92 | 2 | 0.2119 | 0.872 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ga2Ru | ICSD | 635227 | Fddd (70) | ✔ | 6 | 84 | 3 | 0.2122 | 0.894 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr(As3Pt2)2 | ICSD | 62518 | C2/c (15) | ✔ | 22 | 160 | 3 | 0.2122 | 0.304 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr3SiO | ICSD | 413384 | Pnma (62) | ✔ | 20 | 160 | 1 | 0.2124 | 0.212 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GeTe | ICSD | 56037 | Fm-3m (225) | ✔ | 2 | 10 | 3 | 0.2145 | 0.215 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AgO | COD | 1509487 | I4_1/a (88) | ✔ | 16 | 136 | 3 | 0.2151 | 0.469 | 0.000 | (0;000) | ✗ | 01/02/17 |
| ZnTe | ICSD | 184486 | P3_121 (152) | ✗ | 6 | 54 | 3 | 0.2173 | 0.229 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CsSnI3 | ICSD | 69996 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.219 | 0.219 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsCd4As3 | ICSD | 262029 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.2198 | 0.220 | 0.000 | (0;000) | ✗ | 07/04/17 |
| CsCd4As3 | COD | 4326065 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.2198 | 0.220 | 0.000 | (0;000) | ✗ | 30/01/17 |
| TlFeI3 | ICSD | 26423 | Pnma (62) | ✔ | 20 | 168 | 1 | 0.2199 | 0.321 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KGa3 | COD | 1523230 | I-4m2 (119) | ✗ | 12 | 144 | 3 | 0.2203 | 0.391 | 0.000 | (0;000) | ✔ | 11/04/17 |
| TlGaTe2 | COD | 1527851 | I4/mcm (140) | ✔ | 8 | 76 | 3 | 0.2219 | 0.263 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg2Si | COD | 1011355 | Fm-3m (225) | ✔ | 3 | 24 | 3 | 0.2225 | 1.756 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs5Te3 | ICSD | 34000 | C2/m (12) | ✔ | 16 | 126 | 1 | 0.223 | 0.223 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Ca2FeMoO6 | ICSD | 89956 | P2_1/c (14) | ✔ | 20 | 156 | 3 | 0.2263 | 0.298 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cd(InSe2)2 | ICSD | 52811 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.2271 | 0.316 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb4CO4 | ICSD | 245444 | C2 (5) | ✗ | 9 | 64 | 3 | 0.2272 | 0.227 | 0.000 | (0;000) | ✔ | 06/10/16 |
| BaPdS2 | ICSD | 63588 | Cmcm (63) | ✔ | 8 | 80 | 1 | 0.2276 | 0.228 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnTe | ICSD | 80076 | P3_1 (144) | ✗ | 6 | 54 | 3 | 0.2277 | 1.605 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Ca3(InAs2)2 | ICSD | 61336 | Pnnm (58) | ✔ | 18 | 152 | 1 | 0.2279 | 0.228 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba4Sb2O | ICSD | 402284 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 0.2284 | 0.228 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbGa3 | ICSD | 103943 | I-4m2 (119) | ✗ | 12 | 144 | 3 | 0.2287 | 0.411 | 0.000 | (0;000) | ✔ | 11/04/17 |
| K2H4OsO6 | COD | 8100724 | I4/mmm (139) | ✔ | 13 | 74 | 1 | 0.2304 | 0.268 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2AsAu | ICSD | 23254 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.2318 | 0.248 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KZnSb | ICSD | 44680 | P-6m2 (187) | ✗ | 3 | 26 | 2 | 0.2326 | 0.390 | 0.000 | (0;000) | ✔ | 06/10/16 |
| In7GeIrO8 | ICSD | 417829 | F-43m (216) | ✗ | 17 | 160 | 3 | 0.2332 | 0.266 | 0.000 | (0;000) | ✔ | 26/04/17 |
| Ba5Sb4 | COD | 2008660 | Cmce (64) | ✔ | 18 | 140 | 1 | 0.2358 | 0.564 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cu3PSe4 | COD | 1531879 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.2365 | 0.237 | 0.000 | (0;000) | ✔ | 24/04/17 |
| ScSbPd | ICSD | 415944 | F-43m (216) | ✗ | 3 | 34 | 3 | 0.2377 | 1.162 | 0.000 | (0;000) | ✔ | 15/02/17 |
| KGaSb4 | ICSD | 300158 | Pnma (62) | ✔ | 24 | 168 | 3 | 0.2385 | 0.239 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KHgSb | ICSD | 56201 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.2395 | 0.325 | 0.000 | (1;110) | ✗ | 02/02/17 |
| Te2Ru | ICSD | 106001 | Pmnn (58) | ✔ | 6 | 56 | 3 | 0.2399 | 1.040 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GaCuTe2 | ICSD | 28738 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.2411 | 0.241 | 0.000 | (0;000) | ✔ | 07/10/16 |
| Sr(GaAs)2 | ICSD | 422527 | P2/m (10) | ✔ | 20 | 184 | 3 | 0.2417 | 0.242 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CoPSe | ICSD | 624624 | Pbca (61) | ✔ | 24 | 224 | 3 | 0.2418 | 0.316 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KCuSe | COD | 7221372 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.242 | 0.242 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CdS | ICSD | 620316 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.2437 | 1.748 | 0.000 | (0;000) | ✗ | 27/01/17 |
| As2Ru | ICSD | 42578 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.2439 | 0.936 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BC2N | ICSD | 191801 | Cm (8) | ✗ | 8 | 32 | 3 | 0.2449 | 0.355 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Rb2Te5 | ICSD | 30734 | C2/m (12) | ✔ | 7 | 48 | 3 | 0.2458 | 0.494 | 0.000 | (0;000) | ✔ | 02/02/17 |
| TlFeBr3 | ICSD | 36217 | Pnma (62) | ✔ | 20 | 168 | 1 | 0.2469 | 0.351 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TiFeO3 | ICSD | 246515 | R3c (161) | ✗ | 10 | 76 | 3 | 0.2475 | 0.296 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Li3Sb | COD | 1010289 | P6_3/mmc (194) | ✔ | 8 | 28 | 1 | 0.25 | 1.619 | 0.000 | (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 |
| SrCaSn | COD | 1528699 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.2503 | 0.255 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlAgTe | COD | 1509557 | Pnma (62) | ✔ | 12 | 120 | 3 | 0.2516 | 0.358 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Zr2ZnAg2F14 | ICSD | 422839 | C2/m (12) | ✔ | 19 | 140 | 3 | 0.2533 | 0.686 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Sn(HgSe2)2 | ICSD | 95061 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.2537 | 0.254 | 0.000 | (0;000) | ✔ | 06/10/16 |
| KSnSb | ICSD | 33933 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.2551 | 0.301 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Ca2Zn2CuP3 | ICSD | 89517 | P6_3/mmc (194) | ✔ | 16 | 140 | 2 | 0.2555 | 0.326 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na3Sb | COD | 1010292 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.2556 | 0.256 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl4SiS4 | ICSD | 59170 | Cc (9) | ✗ | 18 | 160 | 3 | 0.2559 | 0.160 | 1.000 | ? | ✗ | 29/03/17 |
| ZnAs2 | ICSD | 2021 | P2_1/c (14) | ✔ | 24 | 176 | 3 | 0.2561 | 0.256 | 0.000 | (0;000) | ✗ | 04/08/17 |
| FeI2 | COD | 9009103 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.257 | 0.282 | 0.000 | (0;000) | ✗ | 22/03/17 |
| YSbPt | ICSD | 649578 | F-43m (216) | ✗ | 3 | 26 | 3 | 0.2604 | 0.260 | 0.000 | (0;000) | ✔ | 15/02/17 |
| K2As2Pt | ICSD | 610762 | Cmcm (63) | ✔ | 10 | 76 | 1 | 0.2624 | 0.291 | 0.000 | (0;000) | ✗ | 30/01/17 |
| MgB4 | COD | 1511477 | Pnma (62) | ✔ | 20 | 88 | 3 | 0.2631 | 0.700 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Bi2SeO2 | ICSD | 411143 | I4/mmm (139) | ✔ | 5 | 48 | 3 | 0.2634 | 1.044 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BiTeCl | ICSD | 79362 | P6_3mc (186) | ✗ | 6 | 36 | 2 | 0.264 | 0.280 | 0.000 | (0;000) | ✔ | 06/10/16 |
| SnSe | COD | 9008296 | Cmcm (63) | ✔ | 4 | 40 | 2 | 0.2641 | 0.265 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SnSe | ICSD | 100673 | Ccmm (63) | ✔ | 4 | 40 | 2 | 0.2641 | 0.265 | 0.000 | (0;000) | ✗ | 06/10/16 |