Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| KCl | COD | 9003138 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.12 | 5.120 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsCl | COD | 9008789 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 5.122 | 5.122 | 0.000 | (0;000) | ✗ | 27/01/17 |
| H2CCl2 | COD | 2100015 | Pbcn (60) | ✔ | 20 | 80 | 1 | 5.0549 | 5.126 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H4CN2O | COD | 1008786 | P-42_1m (113) | ✗ | 16 | 48 | 1 | 5.1355 | 5.136 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KNaSO4 | COD | 9007638 | P3m1 (156) | ✗ | 14 | 96 | 1 | 5.0638 | 5.136 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Si2N2O | ICSD | 66539 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1366 | 5.137 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K2MgCl4 | ICSD | 4035 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 4.9192 | 5.142 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Si2N2O | ICSD | 66540 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1431 | 5.143 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K3CaP2HO8 | ICSD | 35344 | C2/m (12) | ✔ | 15 | 96 | 1 | 5.1444 | 5.144 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CO | ICSD | 40937 | R3c (161) | ✗ | 16 | 80 | 1 | 5.0941 | 5.145 | 0.000 | (0;000) | ✗ | 22/03/17 |
| BaSr2Mg(SiO4)2 | ICSD | 247861 | P-3m1 (164) | ✔ | 14 | 96 | 3 | 5.056 | 5.149 | 0.000 | (0;000) | ✗ | 05/01/17 |
| H4CN2O | COD | 1008785 | P-42_1m (113) | ✗ | 16 | 48 | 1 | 5.1508 | 5.151 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2ZrF6 | ICSD | 155020 | C2/c (15) | ✔ | 18 | 104 | 3 | 5.1502 | 5.154 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaGaH4 | ICSD | 67309 | Cmcm (63) | ✔ | 12 | 52 | 1 | 4.9199 | 5.162 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HCCl2 | COD | 7106717 | P2_1/c (14) | ✔ | 16 | 76 | 1 | 5.0857 | 5.162 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaAlH2CO5 | ICSD | 100140 | Imma (74) | ✔ | 20 | 96 | 2 | 5.0073 | 5.163 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2SO3 | ICSD | 60762 | P-3m1 (164) | ✔ | 12 | 84 | 1 | 4.983 | 5.165 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrAl4O7 | ICSD | 34803 | Cmme (67) | ✔ | 24 | 128 | 3 | 5.1216 | 5.168 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaNa2Mg(PO4)2 | ICSD | 424073 | P-3m1 (164) | ✔ | 14 | 96 | 2 | 5.1468 | 5.169 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Si2N2O | ICSD | 98638 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1733 | 5.173 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PH6NO2 | COD | 4308329 | Cmme (67) | ✔ | 20 | 56 | 1 | 5.1799 | 5.180 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrB4O7 | COD | 1511501 | Pmn2_1 (31) | ✗ | 24 | 128 | 3 | 4.9996 | 5.180 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Si2N2O | ICSD | 168782 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1818 | 5.182 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Si2N2O | ICSD | 415575 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1828 | 5.183 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaCO3 | ICSD | 180348 | R-3c (167) | ✔ | 10 | 64 | 2 | 5.0647 | 5.184 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Si2N2O | ICSD | 34025 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1872 | 5.187 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca(BH4)2 | ICSD | 166671 | P4_2/m (84) | ✔ | 22 | 48 | 1 | 5.1908 | 5.191 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CaCO3 | ICSD | 161820 | C222_1 (20) | ✗ | 10 | 64 | 3 | 5.1926 | 5.193 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li4SiO4 | COD | 1532523 | P-1 (2) | ✔ | 18 | 80 | 1 | 4.9579 | 5.193 | 0.000 | (0;000) | ✗ | 27/01/17 |
| C | COD | 9012590 | P6_3/mmc (194) | ✔ | 8 | 32 | 3 | 4.4445 | 5.193 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnPt(CN)6 | COD | 4100933 | Fm-3m (225) | ✔ | 14 | 76 | 3 | 5.0929 | 5.194 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H5CNO2 | ICSD | 151222 | Pc (7) | ✗ | 18 | 52 | 1 | 5.1261 | 5.200 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Si2N2O | ICSD | 202830 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2062 | 5.206 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GaHCl2 | COD | 4318449 | C2/c (15) | ✔ | 16 | 112 | 1 | 5.062 | 5.206 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Si2N2O | ICSD | 100775 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2072 | 5.207 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2SiO3 | ICSD | 16626 | Ccm2_1 (36) | ✗ | 12 | 56 | 1 | 4.9814 | 5.208 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cs3GeF7 | COD | 1529575 | P4/mbm (127) | ✔ | 22 | 160 | 1 | 5.2136 | 5.214 | 0.000 | (0;000) | ✗ | 07/08/17 |
| CaCO3 | ICSD | 180349 | R-3c (167) | ✔ | 10 | 64 | 2 | 5.1604 | 5.214 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbCS(OF)3 | ICSD | 415817 | P2_1 (4) | ✗ | 18 | 116 | 1 | 5.2115 | 5.219 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Na3TaF8 | COD | 2017817 | C2/c (15) | ✔ | 24 | 192 | 1 | 5.1794 | 5.221 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2TiF6 | COD | 2010891 | P-3m1 (164) | ✔ | 9 | 72 | 1 | 5.2113 | 5.221 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiSc(SiO3)2 | COD | 9008451 | C2/c (15) | ✔ | 20 | 116 | 3 | 5.094 | 5.223 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2SO4 | COD | 1010522 | Cmcm (63) | ✔ | 14 | 96 | 1 | 5.0257 | 5.223 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BeSiN2 | ICSD | 25704 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 5.07 | 5.226 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaPH3NO3 | ICSD | 16608 | P6_3 (173) | ✗ | 18 | 80 | 1 | 5.2274 | 5.227 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiSi2N3 | ICSD | 34118 | Ccm2_1 (36) | ✗ | 12 | 52 | 3 | 4.9582 | 5.231 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TiH8(NF3)2 | ICSD | 24834 | P-3m1 (164) | ✔ | 17 | 72 | 1 | 5.2286 | 5.235 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca2SiO4 | ICSD | 40657 | I4/mmm (139) | ✔ | 7 | 48 | 2 | 4.5637 | 5.235 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TlAsF6 | ICSD | 417954 | R-3 (148) | ✔ | 8 | 60 | 1 | 5.1421 | 5.237 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Cs2TeOF4 | ICSD | 411626 | Cmcm (63) | ✔ | 16 | 116 | 1 | 5.2321 | 5.241 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbLiCl2 | ICSD | 36216 | Cmcm (63) | ✔ | 8 | 52 | 1 | 5.2413 | 5.241 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3B6BrO10 | COD | 7205749 | R3m (160) | ✗ | 20 | 112 | 3 | 5.2393 | 5.245 | 0.000 | (0;000) | ✗ | 21/03/17 |
| SiP2O7 | ICSD | 75116 | P6_3 (173) | ✗ | 20 | 112 | 3 | 5.2461 | 5.246 | 0.000 | (0;000) | ✗ | 29/03/17 |
| GaF3 | COD | 8100893 | R-3c (167) | ✔ | 8 | 68 | 3 | 5.2468 | 5.247 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CN | COD | 2310460 | Pbca (61) | ✔ | 16 | 72 | 1 | 5.2499 | 5.250 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaAl2O4 | COD | 1528679 | P2_1/m (11) | ✔ | 14 | 80 | 2 | 5.2476 | 5.251 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Li2O | COD | 1514092 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 4.981 | 5.252 | 0.000 | (0;000) | ✗ | 27/01/17 |
| YSnF7 | COD | 4030438 | P2_1 (4) | ✗ | 18 | 148 | 3 | 5.2529 | 5.253 | 0.000 | (0;000) | ✗ | 22/03/17 |
| TaPbF7 | ICSD | 417253 | P2_1/m (11) | ✔ | 18 | 152 | 3 | 4.9128 | 5.256 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Si2N2O | ICSD | 200244 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2584 | 5.258 | 0.000 | (0;000) | ✗ | 06/10/16 |
| C | COD | 9012593 | R-3m (166) | ✔ | 10 | 40 | 3 | 4.5247 | 5.260 | 0.000 | (0;000) | ✗ | 22/03/17 |
| H2CN2 | COD | 2008559 | Cc (9) | ✗ | 20 | 64 | 1 | 5.2613 | 5.262 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Si2N2O | ICSD | 202831 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2688 | 5.269 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KCN | ICSD | 173942 | Cc (9) | ✗ | 6 | 36 | 1 | 5.131 | 5.273 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaSc(SiO3)2 | COD | 9011146 | C2/c (15) | ✔ | 20 | 128 | 3 | 5.1211 | 5.277 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaSc(SiO3)2 | COD | 2009802 | C2/c (15) | ✔ | 20 | 128 | 3 | 5.1238 | 5.277 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na3YCl6 | COD | 9007973 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 5.2619 | 5.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2TeOF4 | ICSD | 412955 | Cmcm (63) | ✔ | 16 | 116 | 1 | 5.1391 | 5.288 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba3(PO4)2 | COD | 8103717 | R-3m (166) | ✔ | 13 | 88 | 1 | 5.2617 | 5.291 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Si2N2O | ICSD | 168781 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2974 | 5.297 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Si2N2O | ICSD | 200246 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2994 | 5.299 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KAlH4 | COD | 1532616 | Pnma (62) | ✔ | 24 | 64 | 1 | 5.0402 | 5.300 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2Mg2Si2O7 | ICSD | 185362 | P-31m (162) | ✔ | 13 | 88 | 3 | 5.2818 | 5.307 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CF2 | ICSD | 151184 | P-1 (2) | ✔ | 18 | 108 | 1 | 5.2396 | 5.308 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H5C2NO2 | COD | 2201044 | P2_1 (4) | ✗ | 20 | 60 | 1 | 5.21 | 5.309 | 0.000 | (0;000) | ✗ | 15/02/17 |
| C | COD | 9012591 | P6_3/mmc (194) | ✔ | 12 | 48 | 3 | 4.3813 | 5.309 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SiO2 | COD | 9006296 | C2 (5) | ✗ | 12 | 64 | 3 | 5.3101 | 5.310 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CaZnF4 | COD | 1529060 | I4_1/a (88) | ✔ | 12 | 100 | 1 | 5.3128 | 5.313 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2SO4 | COD | 1011184 | Fddd (70) | ✔ | 14 | 96 | 1 | 5.2961 | 5.316 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsCS(OF)3 | ICSD | 415056 | P2_1 (4) | ✗ | 18 | 116 | 1 | 5.319 | 5.319 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ZrF4 | COD | 2019609 | P2_1/c (14) | ✔ | 20 | 128 | 3 | 5.2782 | 5.321 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AlCl3 | ICSD | 39566 | C2/m (12) | ✔ | 8 | 48 | 2 | 5.243 | 5.321 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Si2N2O | ICSD | 200245 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.3244 | 5.324 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Si2N2O | ICSD | 169120 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.299 | 5.332 | 0.000 | (0;000) | ✗ | 06/10/16 |
| C | COD | 9012594 | R-3m (166) | ✔ | 14 | 56 | 3 | 4.4247 | 5.344 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Ca4Cl6O | ICSD | 33883 | P6_3mc (186) | ✗ | 22 | 176 | 1 | 5.3109 | 5.345 | 0.000 | (0;000) | ✗ | 07/08/17 |
| LiAlH4 | ICSD | 22247 | P2_1/c (14) | ✔ | 24 | 40 | 1 | 5.1658 | 5.345 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Si2N2O | ICSD | 200247 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.3458 | 5.346 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeBr2 | COD | 1526850 | Ibam (72) | ✔ | 6 | 36 | 1 | 5.332 | 5.347 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca2B5H2ClO10 | COD | 2009683 | P1 (1) | ✗ | 20 | 104 | 3 | 5.2078 | 5.348 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaCa2Mg(SiO4)2 | ICSD | 422406 | P-3 (147) | ✔ | 14 | 96 | 3 | 5.2458 | 5.351 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KP(HO)2 | COD | 2013920 | C2/c (15) | ✔ | 12 | 56 | 1 | 5.351 | 5.351 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MgCl2 | COD | 9009129 | R-3m (166) | ✔ | 3 | 24 | 2 | 5.3598 | 5.360 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaH3SO5 | COD | 9012547 | Cc (9) | ✗ | 20 | 96 | 1 | 5.3572 | 5.366 | 0.000 | (0;000) | ✗ | 29/03/17 |
| ZnSO4 | ICSD | 2456 | F-43m (216) | ✗ | 6 | 42 | 3 | 5.0558 | 5.367 | 0.000 | (0;000) | ✗ | 06/10/16 |
| C | COD | 9012592 | P6_3/mmc (194) | ✔ | 16 | 64 | 3 | 4.3691 | 5.374 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnH4(CO)4 | COD | 7012468 | C2 (5) | ✗ | 13 | 56 | 3 | 5.1539 | 5.377 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Cs2Al2P2O9 | ICSD | 280275 | P-1 (2) | ✔ | 15 | 88 | 2 | 5.2554 | 5.386 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CsLiCl2 | ICSD | 423634 | C2/c (15) | ✔ | 16 | 104 | 1 | 5.3881 | 5.388 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsP(HO2)2 | ICSD | 79609 | P2_1/m (11) | ✔ | 16 | 80 | 1 | 5.2962 | 5.388 | 0.000 | (0;000) | ✗ | 02/02/17 |