Plotting...
| ▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ba5Ta4O15 | COD | 2106435 | P-3m1 (164) | ✔ | 24 | 192 | 1 | 0.3425 | 0.343 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ba3SiO5 | COD | 2106454 | I4/mcm (140) | ✔ | 18 | 128 | 1 | 3.5175 | 3.553 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Be4TeO7 | COD | 2106455 | F-43m (216) | ✗ | 12 | 64 | 1 | 1.6716 | 1.672 | 0.000 | (0;000) | ✗ | 15/02/17 |
| FeMo3S4 | COD | 2106467 | P-1 (2) | ✔ | 16 | 148 | 3 | 0.0 | 0.018 | 0.308 | (0;001) | ✗ | 02/02/17 |
| CsICl2 | COD | 2106471 | R-3m (166) | ✔ | 4 | 30 | 1 | 2.1106 | 2.293 | 0.000 | (0;000) | ✗ | 22/03/17 |
| V3O5 | COD | 2106479 | C2/c (15) | ✔ | 16 | 138 | 3 | 0.0 | 0.000 | 0.593 | (1;011) | ✗ | 10/08/17 |
| K2SnCl6 | COD | 2106487 | P4/mnc (128) | ✔ | 18 | 148 | 1 | 2.7117 | 2.712 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CuTeO4 | COD | 2106504 | P2_1/c (14) | ✔ | 24 | 164 | 3 | 0.0 | 0.011 | 0.424 | (0;000) | ✗ | 04/08/17 |
| Sr2Nb2O7 | COD | 2106522 | Cmc2_1 (36) | ✗ | 22 | 176 | 2 | 2.8766 | 3.077 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Sr2Ta2O7 | COD | 2106523 | Cmc2_1 (36) | ✗ | 22 | 176 | 2 | 3.1509 | 3.166 | 0.000 | (0;000) | ✗ | 07/08/17 |
| RbNO3 | COD | 2106532 | Pmmn (59) | ✔ | 10 | 64 | 1 | 3.2649 | 3.265 | 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 |
| PS | COD | 2106562 | C2/c (15) | ✔ | 16 | 88 | 1 | 1.9547 | 2.002 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Y3Co2 | COD | 2106563 | Pnnm (58) | ✔ | 20 | 268 | 3 | 0.0 | 0.001 | 0.808 | (1;101) | ✗ | 22/03/17 |
| Li2W2O7 | COD | 2106564 | P-1 (2) | ✔ | 22 | 208 | 1 | 3.7985 | 3.863 | 0.000 | (0;000) | ✗ | 07/08/17 |
| ZnSiO3 | COD | 2106565 | C2/c (15) | ✔ | 20 | 136 | 3 | 3.6364 | 3.782 | 0.000 | (0;000) | ✗ | 02/02/17 |
| YSeF | COD | 2106573 | P2_1/m (11) | ✔ | 24 | 192 | 3 | 2.0509 | 2.061 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ga4Fe3 | COD | 2106579 | C2/m (12) | ✔ | 21 | 228 | 3 | 0.0 | 0.002 | 0.602 | (1;111) | ✗ | 07/08/17 |
| Cr3Ga4 | COD | 2106580 | C2/m (12) | ✔ | 21 | 282 | 3 | 0.0 | 0.012 | 0.549 | (1;110) | ✗ | 07/08/17 |
| In2Co | COD | 2106591 | Fddd (70) | ✔ | 12 | 172 | 3 | 0.0 | 0.003 | 0.526 | (1;111) | ✗ | 02/02/17 |
| BaNiO3 | COD | 2106603 | P6_3/mmc (194) | ✔ | 10 | 76 | 1 | 1.1864 | 1.283 | 0.000 | (0;000) | ✗ | 05/01/17 |
| VClO | COD | 2106692 | Pmmn (59) | ✔ | 6 | 52 | 2 | 0.0 | 0.002 | 0.323 | (1;001) | ✗ | 27/01/17 |
| KReO4 | COD | 2106705 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 4.3067 | 4.307 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2PdBr4 | COD | 2106711 | P4/mmm (123) | ✔ | 7 | 64 | 1 | 1.1261 | 1.126 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaGaN | COD | 2106735 | P4/nmm (129) | ✔ | 6 | 56 | 1 | 0.0 | 0.003 | 0.529 | (1;000) | ✗ | 27/01/17 |
| Sn2OF2 | COD | 2106752 | C2/m (12) | ✔ | 10 | 96 | 1 | 2.5696 | 2.686 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaLiSb | COD | 2200086 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 0.4311 | 0.643 | 0.000 | (0;000) | ✗ | 05/01/17 |
| LiH5C5N2O5 | COD | 2200233 | P1 (1) | ✗ | 18 | 68 | 1 | 2.9567 | 3.022 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ba4I6O | COD | 2200255 | P6_3mc (186) | ✗ | 22 | 176 | 1 | 3.6527 | 3.754 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Sr4I6O | COD | 2200256 | P6_3mc (186) | ✗ | 22 | 176 | 1 | 3.1042 | 3.104 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Sn7Ru3 | COD | 2200583 | Im-3m (229) | ✔ | 20 | 292 | 3 | 0.0 | 0.000 | 0.394 | (1;111) | ✗ | 02/02/17 |
| BaSbAu | COD | 2200818 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.013 | 0.051 | (1;000) | ✗ | 05/01/17 |
| BaAgBi | COD | 2200912 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.003 | 0.161 | (1;000) | ✗ | 05/01/17 |
| H5C2NO2 | COD | 2201044 | P2_1 (4) | ✗ | 20 | 60 | 1 | 5.21 | 5.309 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CsAl(MoO4)2 | COD | 2201257 | P-3m1 (164) | ✔ | 12 | 88 | 2 | 4.0981 | 4.098 | 0.000 | (0;000) | ✗ | 30/01/17 |
| LiH2ClO | COD | 2201759 | Cmcm (63) | ✔ | 20 | 72 | 1 | 5.5527 | 5.579 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2H2SeO5 | COD | 2201760 | P2_1 (4) | ✗ | 20 | 88 | 1 | 4.7043 | 4.704 | 0.000 | (0;000) | ✗ | 28/03/17 |
| KGaCl4 | COD | 2201772 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 4.597 | 4.597 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cd2B2O5 | COD | 2202291 | P-1 (2) | ✔ | 18 | 120 | 3 | 2.687 | 2.709 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiMnVO4 | COD | 2202307 | Cmcm (63) | ✔ | 14 | 110 | 3 | 0.0 | 0.000 | 0.709 | (0;110) | ✗ | 27/01/17 |
| Cs2GeS4 | COD | 2202360 | C2/m (12) | ✔ | 14 | 92 | 1 | 2.4232 | 2.451 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na3VS3O | COD | 2203124 | Cmc2_1 (36) | ✗ | 16 | 128 | 1 | 1.9108 | 1.947 | 0.000 | (0;000) | ✗ | 29/03/17 |
| H5C5N2 | COD | 2203306 | P-1 (2) | ✔ | 24 | 70 | 1 | 2.377 | 2.436 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KCaCO3F | COD | 2203515 | P-6m2 (187) | ✗ | 7 | 48 | 1 | 4.4344 | 4.439 | 0.000 | (0;000) | ✗ | 15/02/17 |
| AgH4CN4 | COD | 2203531 | P-1 (2) | ✔ | 20 | 78 | 3 | 2.7572 | 3.110 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H4C3O2 | COD | 2203632 | P-1 (2) | ✔ | 18 | 56 | 1 | 3.317 | 3.317 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgH4C4(NCl)2 | COD | 2203719 | C2/m (12) | ✔ | 13 | 56 | 2 | 2.1633 | 2.211 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgH2C2I2N | COD | 2203720 | P-1 (2) | ✔ | 16 | 82 | 3 | 2.1095 | 2.167 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BH4C3O2 | COD | 2204051 | P-1 (2) | ✔ | 20 | 62 | 1 | 3.5427 | 3.639 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrCN2 | COD | 2204347 | R-3m (166) | ✔ | 4 | 24 | 1 | 3.2298 | 4.229 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsVP2S7 | COD | 2204978 | C2 (5) | ✗ | 11 | 74 | 2 | 0.0 | 0.007 | 0.762 | ? | ✗ | 22/03/17 |
| H4NClO2 | COD | 2205376 | P-42_1m (113) | ✗ | 16 | 56 | 1 | 2.8507 | 2.901 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Cd2GaAgS4 | COD | 2205826 | Pmn2_1 (31) | ✗ | 16 | 144 | 3 | 1.0918 | 1.092 | 0.000 | (0;000) | ✗ | 16/03/17 |
| H3C4N3 | COD | 2205937 | Pc (7) | ✗ | 20 | 68 | 1 | 4.3703 | 4.482 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CdHgC4(SeN)4 | COD | 2206021 | I-4 (82) | ✗ | 14 | 84 | 3 | 2.4203 | 2.607 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CsAuBr3 | COD | 2206091 | I4/mmm (139) | ✔ | 10 | 82 | 3 | 0.8304 | 0.848 | 0.000 | (0;000) | ✗ | 30/01/17 |
| YI3 | COD | 2206574 | R-3 (148) | ✔ | 8 | 64 | 2 | 2.4264 | 2.773 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScBrO | COD | 2206575 | Pmmn (59) | ✔ | 6 | 48 | 2 | 3.3438 | 3.344 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2NaMnO4 | COD | 2206577 | P2_1/m (11) | ✔ | 16 | 132 | 1 | 0.0 | 0.011 | 0.310 | (0;000) | ✗ | 02/02/17 |
| AlInCl4 | COD | 2206752 | Pnma (62) | ✔ | 24 | 176 | 1 | 4.1454 | 4.271 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RbAuI3 | COD | 2206809 | C2/m (12) | ✔ | 10 | 82 | 1 | 0.64 | 0.778 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na3P | COD | 2207375 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.4447 | 0.445 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca(ClO2)2 | COD | 2207379 | Ccce (68) | ✔ | 14 | 96 | 1 | 2.1995 | 2.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr(ClO2)2 | COD | 2207380 | Ccce (68) | ✔ | 14 | 96 | 1 | 2.3827 | 2.464 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H5C4N3 | COD | 2207775 | C2/c (15) | ✔ | 24 | 72 | 1 | 2.9527 | 2.971 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RePbClO4 | COD | 2208194 | Pmn2_1 (31) | ✗ | 14 | 120 | 3 | 3.0966 | 3.176 | 0.000 | (0;000) | ✗ | 22/03/17 |
| H5SeNO3 | COD | 2208335 | P-1 (2) | ✔ | 20 | 68 | 1 | 4.7987 | 4.863 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaSO4 | COD | 2208366 | P-1 (2) | ✔ | 12 | 78 | 1 | 3.9204 | 3.927 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnCdC4(SeN)4 | COD | 2208502 | I-4 (82) | ✗ | 14 | 84 | 3 | 3.1605 | 3.333 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cd2P2O7 | COD | 2208748 | P-1 (2) | ✔ | 22 | 152 | 3 | 2.9988 | 3.347 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NbSeCl3 | COD | 2209086 | P2/c (13) | ✔ | 20 | 160 | 1 | 0.7005 | 0.816 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na3Hg2 | COD | 2209338 | P4_2/mnm (136) | ✔ | 20 | 204 | 3 | 0.0 | 0.002 | 0.510 | (0;000) | ✗ | 02/02/17 |
| NaClO4 | COD | 2209646 | Pnma (62) | ✔ | 24 | 160 | 1 | 4.9383 | 4.968 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TlBiS2 | COD | 2209681 | R-3m (166) | ✔ | 4 | 40 | 2 | 0.0991 | 0.099 | 0.000 | (1;000) | ✗ | 05/01/17 |
| MgSi7Ir3 | COD | 2210014 | R-3c (167) | ✔ | 22 | 178 | 3 | 0.0 | 0.000 | 0.868 | (0;000) | ✗ | 07/08/17 |
| NaAlH8(NF3)2 | COD | 2210090 | Fm-3m (225) | ✔ | 18 | 72 | 1 | 6.9624 | 6.962 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Cr2HgO4 | COD | 2210102 | Fd-3m (227) | ✔ | 14 | 128 | 3 | 0.0 | 0.000 | 0.145 | (0;000) | ✗ | 27/01/17 |
| AlHO2 | COD | 2211226 | Pmn2_1 (31) | ✗ | 8 | 32 | 3 | 5.4848 | 5.593 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CuSe2O5 | COD | 2211417 | C2/c (15) | ✔ | 16 | 106 | 2 | 0.0 | 0.001 | 0.263 | (1;011) | ✗ | 02/02/17 |
| Mn3TeO6 | COD | 2211528 | R-3 (148) | ✔ | 20 | 174 | 3 | 0.0 | 0.001 | 0.493 | (0;000) | ✗ | 02/02/17 |
| Cd3(BO3)2 | COD | 2212013 | Pnnm (58) | ✔ | 22 | 156 | 3 | 1.639 | 1.639 | 0.000 | (0;000) | ✗ | 07/08/17 |
| CI | COD | 2212043 | P2_1/c (14) | ✔ | 24 | 132 | 1 | 0.9107 | 1.054 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na2ZnGe | COD | 2212047 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.0 | 0.008 | 0.168 | (1;110) | ✗ | 27/01/17 |
| Li3P | COD | 2212780 | P6_3/mmc (194) | ✔ | 8 | 28 | 1 | 0.695 | 2.117 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs3ZnCl5 | COD | 2213127 | I4/mcm (140) | ✔ | 18 | 148 | 1 | 4.4993 | 4.499 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrTe3O8 | COD | 2213325 | P4_2/m (84) | ✔ | 24 | 152 | 3 | 2.4893 | 2.556 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SrSeO3 | COD | 2213989 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.848 | 3.849 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2BeB2O5 | COD | 2214424 | C2/c (15) | ✔ | 20 | 116 | 1 | 4.9414 | 4.981 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgSO4 | COD | 2214531 | Pnma (62) | ✔ | 24 | 160 | 3 | 5.9674 | 6.011 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr2Mg(BO3)2 | COD | 2215221 | C2/m (12) | ✔ | 11 | 72 | 1 | 4.7924 | 4.792 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Sr2IN | COD | 2215222 | R-3m (166) | ✔ | 4 | 32 | 1 | 1.861 | 1.861 | 0.000 | (0;000) | ✗ | 30/01/17 |
| FeSO4 | COD | 2216658 | Pnma (62) | ✔ | 24 | 152 | 3 | 0.1406 | 0.141 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ba3Cr2O8 | COD | 2216715 | R-3m (166) | ✔ | 13 | 106 | 1 | 0.0 | 0.000 | 0.359 | (0;000) | ✗ | 02/02/17 |
| H3C2O | COD | 2216740 | P-1 (2) | ✔ | 24 | 68 | 2 | 3.2998 | 3.326 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na2Si4Cu2O11 | COD | 2217426 | P-1 (2) | ✔ | 19 | 122 | 3 | 0.0598 | 0.108 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CuAsS | COD | 2217766 | Pnma (62) | ✔ | 12 | 88 | 3 | 0.0 | 0.137 | 0.077 | (0;000) | ✗ | 30/01/17 |
| CoAs2 | COD | 2219402 | Pnnm (58) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.927 | (1;000) | ✗ | 05/01/17 |
| PH8C4N3O4 | COD | 2221677 | P1 (1) | ✗ | 20 | 68 | 1 | 2.9893 | 3.073 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TiGeSb | COD | 2223219 | P4/nmm (129) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.901 | (1;000) | ✗ | 27/01/17 |
| HC2F | COD | 2223886 | C2/c (15) | ✔ | 24 | 96 | 1 | 4.7694 | 4.810 | 0.000 | (0;000) | ✗ | 04/08/17 |