Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cu4O3 | COD | 9000603 | I4_1/amd (141) | ✔ | 14 | 124 | 3 | 0.0 | 0.025 | 0.679 | (1;111) | ✗ | 27/01/17 |
| Cu2Sb | COD | 9008317 | P4/nmm (129) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.769 | (0;000) | ✗ | 27/01/17 |
| SrCu2O3 | COD | 1532418 | Pmmn (59) | ✔ | 12 | 100 | 3 | 0.0 | 0.002 | 0.729 | (0;000) | ✗ | 27/01/17 |
| V2CdO6 | ICSD | 21065 | C2/m (12) | ✔ | 9 | 74 | 3 | 2.2965 | 2.306 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr2ZnCu2(SO)2 | ICSD | 84735 | I4/mmm (139) | ✔ | 9 | 78 | 3 | 0.6692 | 1.036 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cu2NiSn | COD | 1525227 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.007 | 0.909 | (0;000) | ✗ | 27/01/17 |
| Fe2C | COD | 9014589 | Pnma (62) | ✔ | 24 | 160 | 3 | 0.0 | 0.010 | 0.343 | (0;000) | ✗ | 04/08/17 |
| MnAu | ICSD | 109348 | Pm-3m (221) | ✔ | 2 | 26 | 3 | 0.0 | 0.000 | 0.798 | (1;111) | ✗ | 05/01/17 |
| H4CN | COD | 2100665 | P2_1/c (14) | ✔ | 24 | 52 | 1 | 4.7319 | 4.878 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H4CN | COD | 2100668 | P2_1/c (14) | ✔ | 24 | 52 | 1 | 4.4325 | 4.433 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H4CN | COD | 2100671 | P2_1/c (14) | ✔ | 24 | 52 | 1 | 4.4543 | 4.534 | 0.000 | (0;000) | ✗ | 04/08/17 |
| MnFeAs | COD | 1526827 | P4/nmm (129) | ✔ | 6 | 56 | 3 | 0.0 | 0.012 | 0.042 | (1;000) | ✗ | 05/01/17 |
| HC | COD | 4501704 | P2_1/c (14) | ✔ | 24 | 60 | 1 | 4.4352 | 4.498 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaFeAs | ICSD | 163143 | P4/nmm (129) | ✔ | 6 | 44 | 1 | 0.0 | 0.002 | 0.460 | (1;001) | ✗ | 05/01/17 |
| CI | COD | 2212043 | P2_1/c (14) | ✔ | 24 | 132 | 1 | 0.9107 | 1.054 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2CO3 | COD | 9009645 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 3.9261 | 3.926 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li8Pb3 | ICSD | 15694 | R-3m (166) | ✔ | 11 | 66 | 1 | 0.0 | 0.155 | 0.632 | (1;111) | ✔ | 06/10/16 |
| NbFeAs | ICSD | 610502 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.016 | 0.128 | (0;000) | ✗ | 05/01/17 |
| GaCl2 | ICSD | 62664 | Pnna (52) | ✔ | 24 | 216 | 1 | 3.7899 | 3.803 | 0.000 | (0;000) | ✗ | 04/08/17 |
| FeAs | COD | 9007671 | Pnma (62) | ✔ | 8 | 52 | 3 | 0.0 | 0.001 | 0.486 | (0;011) | ✗ | 05/01/17 |
| Mg(ClO4)2 | COD | 2018117 | P2_1/c (14) | ✔ | 22 | 144 | 3 | 6.019 | 6.019 | 0.000 | (0;000) | ✗ | 04/08/17 |
| PbCl2 | ICSD | 81978 | P2_1/c (14) | ✔ | 24 | 224 | 3 | 0.8128 | 0.848 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cu2PbO2 | ICSD | 400657 | C2/c (15) | ✔ | 10 | 96 | 3 | 0.7561 | 0.900 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SnCl2 | ICSD | 81979 | P2_1/c (14) | ✔ | 24 | 224 | 3 | 0.7863 | 1.125 | 0.000 | (0;000) | ✗ | 04/08/17 |
| YCd3 | ICSD | 102086 | Ccmm (63) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.845 | (1;110) | ✗ | 06/10/16 |
| CsLi2Cl3 | ICSD | 423635 | Pbcn (60) | ✔ | 24 | 144 | 1 | 5.5413 | 5.542 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2CuCl3 | ICSD | 150292 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.0536 | 2.054 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CuCl3O2 | COD | 2310504 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 0.006 | 0.082 | 1.000 | (0;000) | ✗ | 04/08/17 |
| Rb2CuCl3 | ICSD | 150294 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.0085 | 2.009 | 0.000 | (0;000) | ✗ | 04/08/17 |
| FeAsSe | ICSD | 610526 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.0 | 0.021 | 0.461 | (1;010) | ✗ | 05/01/17 |
| FeAsS | COD | 1010913 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.1573 | 0.372 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ZnCu2Ni | COD | 2310325 | P4/mmm (123) | ✔ | 4 | 44 | 3 | 0.0 | 0.019 | 0.327 | (1;000) | ✗ | 27/01/17 |
| Ga2HCl3 | COD | 4320174 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 3.9594 | 3.964 | 0.000 | (0;000) | ✗ | 04/08/17 |
| MoS2Cl3 | ICSD | 28062 | P2_1/c (14) | ✔ | 24 | 188 | 1 | 1.3573 | 1.390 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Se2NCl3 | ICSD | 84030 | P2_1/c (14) | ✔ | 24 | 152 | 1 | 0.7486 | 0.749 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ReCl3O2 | ICSD | 416056 | Pnnm (58) | ✔ | 24 | 192 | 1 | 1.9138 | 1.935 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ReCl3 | COD | 4343759 | R-3m (166) | ✔ | 24 | 216 | 3 | 0.8 | 0.801 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TaFeAs | ICSD | 610528 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.025 | 0.154 | (0;000) | ✗ | 05/01/17 |
| SbS8Cl3 | ICSD | 35741 | P-1 (2) | ✔ | 24 | 148 | 2 | 2.714 | 2.763 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SrFeAsF | ICSD | 162808 | P4/nmm (129) | ✔ | 8 | 60 | 1 | 0.0 | 0.010 | 0.451 | (0;000) | ✗ | 05/01/17 |
| WCl3 | ICSD | 109512 | R-3 (148) | ✔ | 24 | 294 | 2 | 0.0 | 0.001 | 0.624 | (0;000) | ✗ | 04/08/17 |
| CsFeCl4 | COD | 1527810 | Pnma (62) | ✔ | 24 | 180 | 1 | 0.0 | 0.000 | 0.545 | (1;011) | ✗ | 04/08/17 |
| CsGaCl4 | COD | 7221990 | Pnma (62) | ✔ | 24 | 200 | 1 | 4.7858 | 4.786 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ir(Cl2F3)2 | ICSD | 411351 | P2_1/c (14) | ✔ | 22 | 174 | 1 | 0.0 | 0.000 | 0.660 | (0;101) | ✗ | 04/08/17 |
| SrCu2O3 | ICSD | 416903 | Cmmm (65) | ✔ | 6 | 50 | 3 | 0.0 | 0.005 | 0.916 | (0;000) | ✗ | 27/01/17 |
| Sr(CuO)2 | ICSD | 25002 | I4_1/amd (141) | ✔ | 10 | 88 | 3 | 1.8259 | 1.826 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbFeCl4 | COD | 4030154 | Pnma (62) | ✔ | 24 | 180 | 1 | 0.0 | 0.000 | 0.746 | (1;011) | ✗ | 04/08/17 |
| NbCl4F | ICSD | 26155 | P-1 (2) | ✔ | 24 | 192 | 1 | 2.5534 | 2.559 | 0.000 | (0;000) | ✗ | 04/08/17 |
| InCl | ICSD | 2430 | Cmcm (63) | ✔ | 4 | 40 | 1 | 1.443 | 1.529 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrMnAsF | ICSD | 189940 | P4/nmm (129) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.876 | (1;001) | ✗ | 05/01/17 |
| SiCl2O | COD | 7028092 | P-1 (2) | ✔ | 24 | 144 | 1 | 5.7589 | 5.834 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KGaCl4 | COD | 2201772 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 4.597 | 4.597 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiGaCl4 | ICSD | 60849 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 4.6362 | 4.636 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SrZnAsF | ICSD | 189934 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.5984 | 0.598 | 0.000 | (0;000) | ✗ | 05/01/17 |
| RbGaCl4 | COD | 8100813 | Pnma (62) | ✔ | 24 | 200 | 1 | 4.7981 | 4.798 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TlGaCl4 | ICSD | 419825 | Pnma (62) | ✔ | 24 | 216 | 1 | 4.2125 | 4.236 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KICl4 | COD | 1010442 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 1.8961 | 1.910 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaScCl4 | ICSD | 402273 | Pbcn (60) | ✔ | 24 | 192 | 1 | 3.843 | 3.885 | 0.000 | (0;000) | ✗ | 04/08/17 |
| OsCl4O | ICSD | 417247 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 0.926 | 0.942 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Rb6Cl4O | ICSD | 405193 | R-3c (167) | ✔ | 22 | 176 | 1 | 1.7803 | 1.780 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NbCl5 | ICSD | 66537 | P2_1/c (14) | ✔ | 24 | 192 | 3 | 2.3549 | 2.360 | 0.000 | (0;000) | ✗ | 04/08/17 |
| PCl5 | ICSD | 26048 | P4/n (85) | ✔ | 24 | 160 | 1 | 2.1286 | 2.129 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Rb3Cu2Cl7 | ICSD | 26369 | Ccce (68) | ✔ | 24 | 196 | 2 | 0.0799 | 0.246 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ga2CuCl8 | COD | 1530952 | P2_1/c (14) | ✔ | 22 | 186 | 2 | 0.0 | 0.000 | 0.665 | (0;010) | ✗ | 04/08/17 |
| Pt(SCl4)2 | ICSD | 66012 | P2_1/c (14) | ✔ | 22 | 156 | 1 | 1.8649 | 1.874 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RuS3Cl8 | ICSD | 410112 | P-1 (2) | ✔ | 24 | 180 | 2 | 1.8706 | 1.957 | 0.000 | (0;000) | ✗ | 04/08/17 |
| MoPCl9 | COD | 2002166 | P-1 (2) | ✔ | 22 | 164 | 1 | 0.0 | 0.003 | 0.367 | (0;010) | ✗ | 04/08/17 |
| NbTeCl9 | ICSD | 410946 | P-1 (2) | ✔ | 22 | 164 | 1 | 2.1471 | 2.222 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SnPCl9 | ICSD | 60093 | P-1 (2) | ✔ | 22 | 164 | 1 | 2.8264 | 2.826 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SbSCl9 | ICSD | 72391 | C2/m (12) | ✔ | 22 | 148 | 1 | 1.8944 | 1.931 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TaTeCl9 | ICSD | 410947 | P-1 (2) | ✔ | 22 | 164 | 1 | 2.6089 | 2.669 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsClO4 | ICSD | 63364 | Pnma (62) | ✔ | 24 | 160 | 1 | 6.149 | 6.169 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cu2ClO3 | COD | 9004404 | P2_1/c (14) | ✔ | 24 | 188 | 3 | 0.0 | 0.004 | 0.717 | (1;010) | ✗ | 04/08/17 |
| CuClF10 | COD | 1529596 | P2_1/c (14) | ✔ | 24 | 176 | 2 | 0.0 | 0.002 | 0.108 | (0;000) | ✗ | 04/08/17 |
| CuClF10 | ICSD | 35387 | P2_1/c (14) | ✔ | 24 | 176 | 2 | 0.0 | 0.001 | 0.267 | (1;001) | ✗ | 04/08/17 |
| CF4 | ICSD | 2848 | C2/c (15) | ✔ | 10 | 64 | 1 | 9.4116 | 9.472 | 0.000 | (0;000) | ✗ | 06/10/16 |
| InTeCl | ICSD | 21031 | P2_1/c (14) | ✔ | 24 | 208 | 2 | 1.6881 | 1.688 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KClO4 | COD | 1010611 | Pnma (62) | ✔ | 24 | 160 | 1 | 0.0 | 0.022 | 0.014 | (0;000) | ✗ | 04/08/17 |
| KClO4 | COD | 9011079 | Pnma (62) | ✔ | 24 | 160 | 1 | 6.1057 | 6.136 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiClO4 | COD | 4313930 | Pnma (62) | ✔ | 24 | 136 | 1 | 6.3338 | 6.366 | 0.000 | (0;000) | ✗ | 04/08/17 |
| S5N5Cl | ICSD | 62528 | C2/c (15) | ✔ | 22 | 124 | 1 | 1.4462 | 1.448 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaClO4 | COD | 2209646 | Pnma (62) | ✔ | 24 | 160 | 1 | 4.9383 | 4.968 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NClO4 | COD | 9015684 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.6394 | 0.645 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NClO4 | COD | 9016196 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.0 | 0.002 | 0.332 | (0;000) | ✗ | 04/08/17 |
| NClO | ICSD | 411511 | Pnma (62) | ✔ | 12 | 72 | 1 | 2.1735 | 2.232 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ClO2 | ICSD | 180778 | Pbca (61) | ✔ | 24 | 152 | 1 | 0.4052 | 0.405 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RbClO4 | COD | 5910290 | Pnma (62) | ✔ | 24 | 160 | 1 | 3.7097 | 3.729 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TlClO4 | COD | 5910345 | Pnma (62) | ✔ | 24 | 176 | 1 | 3.2528 | 3.397 | 0.000 | (0;000) | ✗ | 04/08/17 |
| GaAsPd5 | ICSD | 610564 | P4/mmm (123) | ✔ | 7 | 108 | 3 | 0.0 | 0.017 | 0.423 | (1;000) | ✗ | 05/01/17 |
| CN2 | COD | 4300179 | P2_1/c (14) | ✔ | 24 | 112 | 1 | 0.0 | 0.003 | 0.752 | (0;000) | ✗ | 04/08/17 |
| CN | COD | 2000225 | C2/c (15) | ✔ | 24 | 108 | 1 | 0.0 | 0.002 | 0.461 | (0;110) | ✗ | 04/08/17 |
| NbGeAs | ICSD | 610611 | P4/nmm (129) | ✔ | 6 | 44 | 2 | 0.0 | 0.022 | 0.299 | (0;001) | ✗ | 05/01/17 |
| Mg3Ga7Co2 | ICSD | 157364 | C2/c (15) | ✔ | 24 | 310 | 3 | 0.0 | 0.000 | 0.696 | (0;101) | ✗ | 04/08/17 |
| Sr2Cu2O3 | ICSD | 68676 | Fmmm (69) | ✔ | 7 | 60 | 1 | 0.0 | 0.011 | 0.885 | (1;000) | ✗ | 27/01/17 |
| Na2Cl | ICSD | 190546 | Cmmm (65) | ✔ | 6 | 50 | 3 | 0.0 | 0.508 | 0.159 | (0;000) | ✗ | 06/10/16 |
| NbCo2 | ICSD | 624286 | P6_3/mmc (194) | ✔ | 24 | 376 | 3 | 0.0 | 0.004 | 0.809 | (1;000) | ✗ | 04/08/17 |
| TaCo2 | ICSD | 625325 | P6_3/mmc (194) | ✔ | 24 | 376 | 3 | 0.0 | 0.000 | 0.793 | (0;000) | ✗ | 04/08/17 |
| InAsH2O5 | COD | 2015029 | P-1 (2) | ✔ | 18 | 100 | 3 | 2.7601 | 2.844 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Rb2CO3 | COD | 1527330 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 3.6921 | 3.692 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Rb2CO3 | ICSD | 414122 | Pnma (62) | ✔ | 24 | 160 | 1 | 3.1677 | 3.168 | 0.000 | (0;000) | ✗ | 04/08/17 |