Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Rb2Se3 | ICSD | 14093 | Ccm2_1 (36) | ✗ | 10 | 72 | 1 | 0.7189 | 0.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbMnAs | COD | 1521904 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.838 | (0;000) | ✗ | 05/01/17 |
| InCl | ICSD | 2431 | Cc2m (40) | ✗ | 4 | 40 | 1 | 1.4421 | 1.528 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CO2 | ICSD | 236929 | Pbcn (60) | ✔ | 12 | 64 | 1 | 0.0 | 0.002 | 0.536 | (0;000) | ✗ | 27/01/17 |
| CO2 | COD | 2007414 | Pa3 (205) | ✔ | 12 | 64 | 1 | 7.0491 | 7.049 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrPb | ICSD | 105623 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.038 | 0.256 | (0;110) | ✗ | 06/10/16 |
| C | COD | 9012236 | Cmmm (65) | ✔ | 8 | 32 | 1 | 0.0 | 0.008 | 0.559 | (1;001) | ✗ | 27/01/17 |
| Cs2KCoF6 | ICSD | 6037 | Fm-3m (225) | ✔ | 10 | 86 | 1 | 1.3195 | 1.320 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2As | ICSD | 44066 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.019 | 0.112 | (0;111) | ✗ | 05/01/17 |
| Rb2NaCoF6 | ICSD | 42148 | Fm-3m (225) | ✔ | 10 | 86 | 1 | 1.1552 | 1.156 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SO2 | ICSD | 24645 | C2ce (41) | ✗ | 6 | 36 | 1 | 2.7868 | 3.412 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiAuF6 | ICSD | 165209 | R-3 (148) | ✔ | 8 | 56 | 1 | 2.5517 | 2.557 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca2AuN | COD | 1510065 | Cmcm (63) | ✔ | 8 | 72 | 1 | 0.0 | 0.084 | 0.022 | (0;000) | ✗ | 05/01/17 |
| Ca3AuN | COD | 1510068 | Pm-3m (221) | ✔ | 5 | 46 | 1 | 0.0 | 0.000 | 0.418 | (1;000) | ✗ | 05/01/17 |
| N3Cl | ICSD | 424502 | Cmc2_1 (36) | ✗ | 8 | 44 | 1 | 2.3446 | 2.370 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CsAuS | ICSD | 656712 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.7838 | 1.986 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SiPt | ICSD | 248491 | Pmnb (62) | ✔ | 8 | 56 | 1 | 0.0138 | 0.018 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaAuF4 | COD | 1510141 | I4/mcm (140) | ✔ | 12 | 96 | 1 | 1.6526 | 1.659 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca2CdAs2 | ICSD | 422579 | Ccm2_1 (36) | ✗ | 10 | 84 | 1 | 0.8205 | 0.821 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K3AuO | COD | 1510209 | Pm-3m (221) | ✔ | 5 | 44 | 1 | 0.4723 | 0.529 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KAuS | COD | 1510204 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.8981 | 2.104 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KAuSe | COD | 1510205 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.7302 | 2.008 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Rb2Te | ICSD | 55115 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.7624 | 1.976 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbTe | ICSD | 83350 | Pbam (55) | ✔ | 8 | 60 | 1 | 0.795 | 0.875 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr2CrN3 | COD | 7012865 | P-1 (2) | ✔ | 12 | 98 | 1 | 0.7771 | 0.921 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2CrO4 | COD | 1010023 | Cmcm (63) | ✔ | 14 | 112 | 1 | 3.3328 | 3.360 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PdCl2 | ICSD | 421220 | P2/m (10) | ✔ | 6 | 64 | 1 | 0.7541 | 1.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2KMnF6 | ICSD | 91037 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 0.0189 | 0.052 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HfBe2 | ICSD | 616288 | P6/mmm (191) | ✔ | 3 | 20 | 1 | 0.0 | 0.009 | 0.660 | (0;000) | ✗ | 05/01/17 |
| RbAu(SO4)2 | ICSD | 412095 | P-1 (2) | ✔ | 12 | 80 | 1 | 2.0264 | 2.159 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BP | ICSD | 615155 | P6_3mc (186) | ✗ | 4 | 16 | 1 | 1.5643 | 1.691 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb3AuO | COD | 1510260 | Pm-3m (221) | ✔ | 5 | 44 | 1 | 0.0 | 0.154 | 0.053 | (0;000) | ✗ | 05/01/17 |
| RbAuS | COD | 1510281 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.8414 | 2.060 | 0.000 | (0;000) | ✗ | 05/01/17 |
| RbAuSe | COD | 8103428 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.6696 | 1.949 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Cs2PdF6 | ICSD | 28674 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 2.4653 | 2.524 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2PtF6 | ICSD | 35107 | P-3m1 (164) | ✔ | 9 | 70 | 1 | 2.6133 | 2.633 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba2Ca(BO3)2 | ICSD | 80429 | C2/m (12) | ✔ | 11 | 72 | 1 | 4.2772 | 4.277 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Cs2SiF6 | COD | 1010285 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 6.2138 | 6.244 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrS3 | ICSD | 23638 | Cc2e (41) | ✗ | 8 | 56 | 1 | 1.0789 | 1.079 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba2Mg(BO3)2 | ICSD | 75986 | R-3m (166) | ✔ | 11 | 72 | 1 | 4.8916 | 4.892 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaB2F8 | COD | 2016138 | C2/m (12) | ✔ | 11 | 72 | 1 | 8.347 | 8.354 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CS2 | COD | 1527106 | Cmce (64) | ✔ | 6 | 32 | 1 | 0.3787 | 0.877 | 0.000 | (0;000) | ✗ | 27/01/17 |
| GaCl3 | ICSD | 413455 | C2/m (12) | ✔ | 8 | 68 | 1 | 4.2652 | 4.266 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr2Mg(BO3)2 | COD | 2215221 | C2/m (12) | ✔ | 11 | 72 | 1 | 4.7924 | 4.792 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba2Cd | ICSD | 30083 | I4/mmm (139) | ✔ | 3 | 32 | 1 | 0.0 | 0.006 | 0.590 | (0;111) | ✗ | 05/01/17 |
| BaHgO2 | ICSD | 74076 | R-3m (166) | ✔ | 4 | 34 | 1 | 2.5459 | 2.704 | 0.000 | (0;000) | ✗ | 05/01/17 |
| LiCa4(BN2)3 | ICSD | 400339 | Im-3m (229) | ✔ | 14 | 82 | 1 | 2.2339 | 3.025 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CsSbF6 | COD | 1529843 | R-3 (148) | ✔ | 8 | 56 | 1 | 5.7879 | 5.788 | 0.000 | (0;000) | ✗ | 27/01/17 |
| B9N | COD | 1525095 | I4/mmm (139) | ✔ | 10 | 32 | 1 | 0.0 | 0.001 | 0.538 | (0;111) | ✗ | 05/01/17 |
| CsH | COD | 9008622 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 2.2162 | 2.216 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RuCl3 | ICSD | 414041 | Cmcm (63) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.794 | (0;110) | ✔ | 02/02/17 |
| Ba2BrN | ICSD | 262056 | R-3m (166) | ✔ | 4 | 32 | 1 | 0.9748 | 0.975 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CsNaS | ICSD | 41323 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.5959 | 2.748 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsNO3 | COD | 2106533 | Pmmn (59) | ✔ | 10 | 64 | 1 | 3.4434 | 3.443 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BF2 | ICSD | 27867 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 5.0014 | 5.057 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba2CaMoO6 | ICSD | 45317 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 2.1405 | 2.212 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SrSi | ICSD | 160106 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.012 | 0.165 | (0;110) | ✗ | 06/10/16 |
| SrSi | ICSD | 160107 | Pmnb (62) | ✔ | 8 | 56 | 1 | 0.0 | 0.008 | 0.102 | (1;000) | ✗ | 06/10/16 |
| BaLiP | ICSD | 416890 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 0.9216 | 0.963 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba2NCl | ICSD | 262051 | R-3m (166) | ✔ | 4 | 32 | 1 | 0.9986 | 0.999 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba2Fe2S2OF2 | ICSD | 249689 | I4/mmm (139) | ✔ | 9 | 68 | 1 | 0.0 | 0.004 | 0.451 | (0;000) | ✗ | 05/01/17 |
| Ba2Fe2Se2OF2 | ICSD | 249687 | I4/mmm (139) | ✔ | 9 | 68 | 1 | 0.0 | 0.004 | 0.487 | (0;000) | ✗ | 05/01/17 |
| Be5Pd | ICSD | 58729 | F-43m (216) | ✗ | 6 | 30 | 1 | 0.0 | 0.315 | 0.184 | (0;000) | ✔ | 04/10/16 |
| Ba2Pd(OF)2 | ICSD | 98141 | I4/mmm (139) | ✔ | 7 | 64 | 1 | 0.0 | 0.409 | 0.492 | (0;000) | ✗ | 05/01/17 |
| Ba2ZnF6 | ICSD | 21054 | I4/mmm (139) | ✔ | 9 | 74 | 1 | 4.9269 | 5.772 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SrSn | ICSD | 106073 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.058 | 0.207 | (0;110) | ✗ | 06/10/16 |
| BaP3 | ICSD | 23618 | C2/m (12) | ✔ | 8 | 50 | 1 | 0.6198 | 0.781 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba2HN | COD | 4030485 | R-3m (166) | ✔ | 4 | 26 | 1 | 1.046 | 1.336 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba2NaReO6 | ICSD | 200876 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 2.1561 | 2.227 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba2ZnN2 | COD | 1005020 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 0.4276 | 0.537 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba2SrWO6 | ICSD | 246115 | R-3 (148) | ✔ | 10 | 80 | 1 | 3.0139 | 3.014 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba2PdO3 | COD | 1000071 | Immm (71) | ✔ | 6 | 56 | 1 | 0.0 | 0.488 | 0.043 | (0;000) | ✗ | 05/01/17 |
| CaAg | ICSD | 57352 | Ccmm (63) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.621 | (0;110) | ✗ | 06/10/16 |
| SrZn | ICSD | 54980 | Pmnb (62) | ✔ | 8 | 88 | 1 | 0.0 | 0.008 | 0.518 | (1;000) | ✗ | 06/10/16 |
| BaS2 | ICSD | 2004 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.5522 | 1.591 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba3ZnN2O | ICSD | 55536 | P4/mmm (123) | ✔ | 7 | 58 | 1 | 0.3269 | 0.327 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba3(PO4)2 | COD | 8103717 | R-3m (166) | ✔ | 13 | 88 | 1 | 5.2617 | 5.291 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaBrF | COD | 9011174 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 4.6989 | 4.699 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ag2S | ICSD | 98452 | P2_1/m (11) | ✔ | 6 | 56 | 1 | 0.0 | 0.020 | 0.267 | (1;001) | ✗ | 06/10/16 |
| Ba3PbO | COD | 1525464 | Pm-3m (221) | ✔ | 5 | 50 | 1 | 0.0 | 0.013 | 0.080 | (0;000) | ✗ | 05/01/17 |
| H4NF2 | ICSD | 87361 | R-3m (166) | ✔ | 14 | 46 | 1 | 0.0 | 0.011 | 0.428 | (0;000) | ✗ | 27/01/17 |
| Ba(BeN)2 | ICSD | 415304 | I4/mcm (140) | ✔ | 10 | 56 | 1 | 1.3639 | 1.449 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaS3 | ICSD | 23637 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 1.3893 | 1.418 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaHBr | COD | 9009158 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.4293 | 3.429 | 0.000 | (0;000) | ✗ | 05/01/17 |
| K2AgAs | ICSD | 1154 | C222_1 (20) | ✗ | 8 | 68 | 1 | 1.1805 | 1.308 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na2AgAs | ICSD | 49007 | C222_1 (20) | ✗ | 8 | 68 | 1 | 0.6852 | 0.685 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaCl2 | COD | 9009003 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 5.5411 | 5.596 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaCd | ICSD | 615805 | Pm-3m (221) | ✔ | 2 | 22 | 1 | 0.0 | 0.000 | 0.663 | (1;000) | ✗ | 05/01/17 |
| K2AgBi | ICSD | 1156 | C222_1 (20) | ✗ | 8 | 68 | 1 | 0.6946 | 0.866 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaClF | COD | 1530187 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.4116 | 5.412 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaSe2 | ICSD | 16358 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.009 | 1.076 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaCrF6 | COD | 1525278 | R-3m (166) | ✔ | 8 | 66 | 1 | 0.0 | 0.000 | 0.174 | (0;000) | ✗ | 05/01/17 |
| BaCuSeF | ICSD | 75585 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.4025 | 1.403 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaLiF3 | ICSD | 45310 | Pm-3m (221) | ✔ | 5 | 34 | 1 | 6.6401 | 6.640 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaF2 | COD | 9009004 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 6.7708 | 6.829 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaCuTeF | ICSD | 245624 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.8274 | 0.827 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KAgO | ICSD | 25744 | I-4 (82) | ✗ | 12 | 104 | 1 | 1.4553 | 1.701 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K2AgSb | ICSD | 1155 | C222_1 (20) | ✗ | 8 | 68 | 1 | 1.1247 | 1.333 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaSe3 | ICSD | 16359 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 0.9646 | 1.065 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaSe2 | COD | 7221479 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.009 | 1.076 | 0.000 | (0;000) | ✗ | 05/01/17 |