Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ge3F8 | ICSD | 427896 | P2_1/c (14) | ✔ | 22 | 136 | 3 | 4.5299 | 4.541 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ZrAu2 | ICSD | 612510 | I4/mmm (139) | ✔ | 3 | 26 | 3 | 0.0 | 0.003 | 0.186 | (1;000) | ✗ | 05/01/17 |
| Na3TaF8 | COD | 2017817 | C2/c (15) | ✔ | 24 | 192 | 1 | 5.1794 | 5.221 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sn3F8 | ICSD | 61162 | P2_1/c (14) | ✔ | 22 | 196 | 3 | 3.6323 | 3.667 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KTe2F9 | ICSD | 84364 | P-1 (2) | ✔ | 24 | 168 | 1 | 4.6391 | 4.676 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HfFe2 | ICSD | 632249 | P6_3/mmc (194) | ✔ | 24 | 224 | 3 | 0.0 | 0.001 | 0.239 | (1;000) | ✗ | 04/08/17 |
| Fe2P2O7 | COD | 4000291 | P2_1/c (14) | ✔ | 22 | 136 | 3 | 0.4683 | 0.487 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Rb4Fe2S5 | ICSD | 425071 | P-1 (2) | ✔ | 22 | 164 | 1 | 0.0 | 0.013 | 0.100 | (0;101) | ✗ | 04/08/17 |
| ScFe2 | ICSD | 633417 | P6_3/mmc (194) | ✔ | 24 | 216 | 3 | 0.0 | 0.003 | 0.815 | (1;000) | ✗ | 04/08/17 |
| ZrFe2 | ICSD | 634194 | P6_3/mmc (194) | ✔ | 24 | 160 | 3 | 0.0 | 0.001 | 0.272 | (1;000) | ✗ | 04/08/17 |
| YFe3 | ICSD | 634092 | P6_3/mmc (194) | ✔ | 24 | 210 | 3 | 0.0 | 0.000 | 0.830 | (1;000) | ✗ | 04/08/17 |
| Fe6Ge5 | ICSD | 23471 | C2/m (12) | ✔ | 22 | 136 | 3 | 0.0 | 0.002 | 0.356 | (1;110) | ✗ | 04/08/17 |
| LiFe6Ge5 | COD | 7221260 | C2/m (12) | ✔ | 24 | 142 | 3 | 0.0 | 0.005 | 0.844 | (0;001) | ✗ | 04/08/17 |
| HfFeSi2 | ICSD | 62614 | Immm (71) | ✔ | 24 | 168 | 3 | 0.0 | 0.004 | 0.322 | (0;000) | ✗ | 04/08/17 |
| KLi2As | ICSD | 78938 | Pmmn (59) | ✔ | 8 | 40 | 1 | 0.7738 | 0.774 | 0.000 | (0;000) | ✗ | 05/01/17 |
| FeMoO4 | ICSD | 43012 | C2/m (12) | ✔ | 24 | 184 | 3 | 0.2752 | 0.373 | 0.000 | (0;000) | ✗ | 04/08/17 |
| FeMoO4 | ICSD | 43013 | C2/m (12) | ✔ | 24 | 184 | 3 | 0.4944 | 0.494 | 0.000 | (0;000) | ✗ | 04/08/17 |
| VP2 | ICSD | 42077 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.034 | 0.163 | (0;111) | ✔ | 27/01/17 |
| FePO4 | COD | 1525576 | Pnma (62) | ✔ | 24 | 148 | 3 | 0.0 | 0.000 | 0.432 | (1;101) | ✗ | 04/08/17 |
| CO2 | ICSD | 166852 | R-3c (167) | ✔ | 24 | 128 | 1 | 6.6343 | 6.801 | 0.000 | (0;000) | ✗ | 04/08/17 |
| FePO4 | ICSD | 281079 | P2_1/c (14) | ✔ | 24 | 148 | 3 | 0.0 | 0.000 | 0.467 | (0;111) | ✗ | 04/08/17 |
| FePO4 | ICSD | 290337 | Pnma (62) | ✔ | 24 | 148 | 3 | 0.0 | 0.001 | 0.184 | (1;011) | ✗ | 04/08/17 |
| FeSO4 | COD | 2216658 | Pnma (62) | ✔ | 24 | 152 | 3 | 0.1406 | 0.141 | 0.000 | (0;000) | ✗ | 04/08/17 |
| FeS2O9 | COD | 9013790 | P-1 (2) | ✔ | 12 | 74 | 2 | 0.0 | 0.041 | 0.500 | (1;000) | ✗ | 04/08/17 |
| KMgAs | ICSD | 610753 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.1304 | 1.165 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KMnAs | ICSD | 60743 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.833 | (1;000) | ✗ | 05/01/17 |
| FeSi2 | COD | 2106045 | Cmce (64) | ✔ | 24 | 128 | 3 | 0.7214 | 0.791 | 0.000 | (0;000) | ✗ | 04/08/17 |
| FeS | ICSD | 89381 | P2_1/c (14) | ✔ | 24 | 168 | 3 | 0.0 | 0.017 | 0.009 | (0;000) | ✗ | 04/08/17 |
| Cu2O | COD | 9007497 | Pn-3m (224) | ✔ | 6 | 56 | 3 | 0.4484 | 0.448 | 0.000 | (0;000) | ✗ | 27/01/17 |
| YSeF | COD | 2106573 | P2_1/m (11) | ✔ | 24 | 192 | 3 | 2.0509 | 2.061 | 0.000 | (0;000) | ✗ | 04/08/17 |
| MgGa2 | ICSD | 23226 | Pbam (55) | ✔ | 24 | 288 | 3 | 0.0 | 0.010 | 0.822 | (0;100) | ✗ | 04/08/17 |
| Cu2SO5 | COD | 9009694 | C2/m (12) | ✔ | 16 | 116 | 3 | 0.0 | 0.068 | 0.073 | (0;000) | ✗ | 27/01/17 |
| Sr3Ga3N5 | COD | 4323351 | P-1 (2) | ✔ | 22 | 188 | 3 | 1.4918 | 1.492 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SrGa4O7 | COD | 2002229 | C2/c (15) | ✔ | 24 | 208 | 3 | 2.8686 | 2.869 | 0.000 | (0;000) | ✗ | 04/08/17 |
| MgCl2 | ICSD | 51244 | Pmmb (51) | ✔ | 6 | 48 | 2 | 0.0 | 0.007 | 0.196 | (0;000) | ✗ | 06/10/16 |
| KZnAs | COD | 7221178 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.2879 | 0.288 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Sr6Ga5N | ICSD | 77645 | R-3c (167) | ✔ | 24 | 260 | 1 | 0.0 | 0.007 | 0.357 | (1;000) | ✗ | 04/08/17 |
| MgGaH4 | ICSD | 240696 | P2_1/c (14) | ✔ | 24 | 108 | 2 | 0.0 | 0.015 | 0.330 | (0;010) | ✗ | 04/08/17 |
| HfGa | COD | 1522450 | Pbcm (57) | ✔ | 24 | 300 | 3 | 0.0 | 0.000 | 0.699 | (1;000) | ✗ | 04/08/17 |
| KGaI4 | ICSD | 400816 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 2.5195 | 2.585 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiGaI4 | ICSD | 60850 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 2.3064 | 2.339 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TlGaI4 | ICSD | 419824 | P2_1/c (14) | ✔ | 24 | 216 | 1 | 2.4465 | 2.523 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KGaSb4 | ICSD | 300158 | Pnma (62) | ✔ | 24 | 168 | 3 | 0.2385 | 0.239 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr6GaN5 | COD | 4313276 | P6_3/mcm (193) | ✔ | 24 | 196 | 1 | 0.2726 | 0.273 | 0.000 | (0;000) | ✗ | 04/08/17 |
| GaPS4 | ICSD | 2613 | P2_1/c (14) | ✔ | 24 | 168 | 2 | 2.1386 | 2.139 | 0.000 | (0;000) | ✗ | 04/08/17 |
| GaPt2 | COD | 1523391 | Pmma (51) | ✔ | 24 | 264 | 3 | 0.0 | 0.022 | 0.386 | (0;110) | ✗ | 04/08/17 |
| MnGe2Pd3 | ICSD | 637060 | Pnma (62) | ✔ | 24 | 308 | 3 | 0.0 | 0.000 | 0.837 | (1;011) | ✗ | 04/08/17 |
| Na4Ge2Se5 | ICSD | 61401 | P-1 (2) | ✔ | 22 | 148 | 1 | 1.8507 | 1.960 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SrGe2 | ICSD | 152799 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.3597 | 0.594 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr2LiGe3 | ICSD | 414575 | Pnnm (58) | ✔ | 24 | 140 | 1 | 0.0 | 0.008 | 0.920 | (1;000) | ✗ | 04/08/17 |
| Li2TiGeO5 | ICSD | 250297 | P4/nmm (129) | ✔ | 18 | 104 | 2 | 3.6252 | 3.899 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiGeTe2 | ICSD | 35676 | P-1 (2) | ✔ | 24 | 114 | 1 | 0.3298 | 0.525 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na2GeS3 | ICSD | 653637 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 2.7259 | 2.726 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na2GeSe3 | ICSD | 49003 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 1.7979 | 1.798 | 0.000 | (0;000) | ✗ | 04/08/17 |
| GeTeRh | ICSD | 260373 | Pbca (61) | ✔ | 24 | 216 | 3 | 0.2684 | 0.277 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li3As | COD | 1010288 | P6_3/mmc (194) | ✔ | 8 | 28 | 1 | 0.7732 | 1.714 | 0.000 | (0;000) | ✗ | 05/01/17 |
| MgP4 | ICSD | 113 | P2_1/c (14) | ✔ | 10 | 60 | 1 | 0.6744 | 0.674 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgH2 | ICSD | 155811 | Pbca (61) | ✔ | 24 | 96 | 1 | 2.3202 | 2.320 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiMnAs | ICSD | 26459 | P4/nmm (129) | ✔ | 6 | 46 | 2 | 0.0 | 0.000 | 0.824 | (0;001) | ✗ | 05/01/17 |
| Ti3H2O7 | COD | 4336945 | C2/m (12) | ✔ | 24 | 160 | 3 | 1.9314 | 1.964 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H2O | COD | 1011024 | Ibam (72) | ✔ | 24 | 64 | 2 | 0.0 | 0.002 | 0.187 | (0;000) | ✗ | 04/08/17 |
| KH3O2 | ICSD | 47114 | P2_1/c (14) | ✔ | 24 | 96 | 1 | 4.2058 | 4.232 | 0.000 | (0;000) | ✗ | 04/08/17 |
| YH3 | ICSD | 154809 | P-3c1 (165) | ✔ | 24 | 84 | 3 | 0.0 | 0.037 | 0.008 | (1;000) | ✗ | 04/08/17 |
| Li4H6Os | ICSD | 638269 | R-3c (167) | ✔ | 22 | 68 | 1 | 2.3096 | 2.310 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li4RuH6 | ICSD | 638272 | R-3c (167) | ✔ | 22 | 68 | 1 | 2.2498 | 2.250 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na4RuH6 | ICSD | 638362 | R-3c (167) | ✔ | 22 | 116 | 1 | 1.6539 | 1.654 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H7O4 | COD | 9015632 | Ibam (72) | ✔ | 22 | 62 | 2 | 0.0 | 0.000 | 0.810 | (1;111) | ✗ | 04/08/17 |
| LiAsO3 | COD | 1529820 | R-3 (148) | ✔ | 10 | 52 | 1 | 4.0057 | 4.210 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Mg5H8O9 | COD | 1531175 | P-3m1 (164) | ✔ | 22 | 112 | 1 | 3.7257 | 3.726 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HfMo2 | ICSD | 638615 | P6_3/mmc (194) | ✔ | 24 | 320 | 3 | 0.0 | 0.006 | 0.930 | (0;000) | ✗ | 04/08/17 |
| HfO2 | ICSD | 79913 | Pbca (61) | ✔ | 24 | 192 | 3 | 4.3367 | 4.480 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HfSb2 | ICSD | 66780 | Pnnm (58) | ✔ | 24 | 176 | 3 | 0.0 | 0.043 | 0.303 | (0;000) | ✗ | 04/08/17 |
| HfZn2 | ICSD | 639018 | P6_3/mmc (194) | ✔ | 24 | 288 | 3 | 0.0 | 0.002 | 0.871 | (1;000) | ✗ | 04/08/17 |
| Hg2SeO3 | ICSD | 412302 | P2_1/c (14) | ✔ | 24 | 192 | 3 | 2.3056 | 2.306 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr2YTlCu2O7 | ICSD | 74164 | P4/mmm (123) | ✔ | 13 | 108 | 3 | 0.0 | 0.012 | 0.953 | (1;111) | ✗ | 27/01/17 |
| Hg2SeO3 | ICSD | 412304 | Ibam (72) | ✔ | 24 | 192 | 3 | 2.4767 | 2.477 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Hg3Se4O5 | COD | 7005928 | P-1 (2) | ✔ | 24 | 180 | 3 | 1.9543 | 2.141 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HgI2 | COD | 2103470 | P4_2/nmc (137) | ✔ | 24 | 208 | 3 | 1.0894 | 1.089 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HgI2 | COD | 9008155 | I4_1/amd (141) | ✔ | 24 | 208 | 3 | 1.2969 | 1.297 | 0.000 | (0;000) | ✗ | 04/08/17 |
| MgCl2 | ICSD | 51247 | P-1 (2) | ✔ | 6 | 48 | 3 | 2.4906 | 2.491 | 0.000 | (0;000) | ✗ | 06/10/16 |
| HgPO4 | COD | 9008252 | P2_1/c (14) | ✔ | 24 | 164 | 2 | 0.0 | 0.006 | 0.481 | (1;000) | ✗ | 04/08/17 |
| ReHgO4 | ICSD | 74885 | P2_1/c (14) | ✔ | 24 | 204 | 3 | 3.022 | 3.022 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiHS | COD | 1532751 | P4_2/mbc (135) | ✔ | 24 | 80 | 1 | 3.5998 | 3.600 | 0.000 | (0;000) | ✗ | 04/08/17 |
| InI2 | ICSD | 201607 | Pnna (52) | ✔ | 24 | 216 | 1 | 1.6982 | 1.707 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiAsSe2 | COD | 4102048 | P-1 (2) | ✔ | 8 | 40 | 1 | 0.0 | 0.097 | 0.008 | (0;000) | ✗ | 05/01/17 |
| SrI2 | COD | 9008163 | Pbca (61) | ✔ | 24 | 192 | 1 | 3.674 | 3.674 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaMgAs | COD | 9008321 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 0.9367 | 0.937 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ReI3 | ICSD | 25114 | P2_1/m (11) | ✔ | 24 | 216 | 2 | 0.7756 | 0.780 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiInI4 | ICSD | 36599 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 2.0709 | 2.071 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaInI4 | ICSD | 65463 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 2.2385 | 2.239 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NbI5 | ICSD | 25503 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 0.0 | 0.045 | 0.106 | (0;000) | ✗ | 04/08/17 |
| Cu2P2O7 | ICSD | 27436 | C2/m (12) | ✔ | 11 | 74 | 3 | 0.0 | 0.008 | 0.529 | (0;000) | ✗ | 27/01/17 |
| LiIO4 | ICSD | 400552 | P2_1/c (14) | ✔ | 24 | 136 | 1 | 2.6356 | 2.723 | 0.000 | (0;000) | ✗ | 04/08/17 |
| YIn2Ni9 | ICSD | 192651 | P4/mbm (127) | ✔ | 24 | 254 | 3 | 0.0 | 0.000 | 0.798 | (1;110) | ✗ | 04/08/17 |
| In2Si2O7 | COD | 1527984 | Fd-3m (227) | ✔ | 22 | 152 | 3 | 2.1883 | 2.640 | 0.000 | (0;000) | ✗ | 04/08/17 |
| In2Sn3S7 | ICSD | 68366 | P2_1/m (11) | ✔ | 24 | 220 | 3 | 0.0 | 0.197 | 0.102 | (0;000) | ✗ | 04/08/17 |
| In2Se | ICSD | 44646 | Pnnm (58) | ✔ | 24 | 256 | 3 | 0.0 | 0.003 | 0.830 | (1;000) | ✗ | 04/08/17 |
| In2Te | ICSD | 640618 | Pnnm (58) | ✔ | 24 | 256 | 3 | 0.0 | 0.019 | 0.909 | (1;000) | ✗ | 04/08/17 |
| TlIn5S6 | ICSD | 56388 | P2_1/m (11) | ✔ | 24 | 228 | 3 | 1.0914 | 1.183 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Y11In9Ni4 | ICSD | 167637 | Cmmm (65) | ✔ | 24 | 278 | 3 | 0.0 | 0.008 | 0.922 | (0;001) | ✗ | 04/08/17 |