Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Y2Si2O7 | ICSD | 28212 | P2_1/c (14) | ✔ | 22 | 144 | 3 | 4.0515 | 4.052 | 0.000 | (0;000) | ✗ | 04/08/17 |
| YClO | ICSD | 60585 | R-3m (166) | ✔ | 6 | 48 | 2 | 4.0542 | 4.591 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K3Zn2F7 | COD | 1532738 | I4/mmm (139) | ✔ | 12 | 100 | 2 | 4.0551 | 5.518 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Ba2TaInO6 | ICSD | 189520 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 4.0575 | 4.058 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaZr(BO3)2 | ICSD | 95527 | R3c (161) | ✗ | 20 | 112 | 2 | 4.0582 | 4.058 | 0.000 | (0;000) | ✗ | 21/03/17 |
| TaPO5 | ICSD | 87281 | P4/n (85) | ✔ | 14 | 96 | 3 | 4.0586 | 4.475 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li3BrO | ICSD | 67265 | Pm-3m (221) | ✔ | 5 | 22 | 1 | 4.0589 | 4.319 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca2As2O7 | ICSD | 32602 | C2/m (12) | ✔ | 11 | 72 | 1 | 4.0716 | 4.136 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Sr2YSbO6 | ICSD | 154033 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 4.0722 | 4.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsBO2 | COD | 1511080 | R-3c (167) | ✔ | 24 | 144 | 2 | 4.077 | 4.084 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na2SiO3 | ICSD | 15388 | Cmc2_1 (36) | ✗ | 12 | 80 | 1 | 4.0781 | 4.370 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na3InCl6 | ICSD | 154092 | P-31c (163) | ✔ | 20 | 164 | 1 | 4.0782 | 4.095 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaSi2N3 | ICSD | 72466 | Cmc2_1 (36) | ✗ | 12 | 64 | 3 | 4.0847 | 4.085 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbBO2 | COD | 2014187 | R-3c (167) | ✔ | 24 | 144 | 1 | 4.0852 | 4.085 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na3ScCl6 | ICSD | 166749 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 4.0856 | 4.103 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiGaO2 | ICSD | 28388 | R-3m (166) | ✔ | 4 | 28 | 2 | 4.0872 | 4.268 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SiBr3 | COD | 2019711 | C2/m (12) | ✔ | 8 | 50 | 1 | 4.0947 | 4.095 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaMg(CO3)2 | COD | 9011458 | R-3m (166) | ✔ | 10 | 64 | 2 | 4.0954 | 4.178 | 0.000 | (0;000) | ✗ | 27/01/17 |
| P4SO7 | ICSD | 82358 | P-1 (2) | ✔ | 24 | 136 | 1 | 4.0971 | 4.238 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsAl(MoO4)2 | COD | 2201257 | P-3m1 (164) | ✔ | 12 | 88 | 2 | 4.0981 | 4.098 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Na3VH6O7 | ICSD | 62533 | R3 (146) | ✗ | 17 | 88 | 1 | 4.1033 | 4.120 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Cs2NaAsO4 | ICSD | 36533 | P2_1/m (11) | ✔ | 16 | 112 | 1 | 4.104 | 4.122 | 0.000 | (0;000) | ✗ | 30/01/17 |
| H2C3F | COD | 4116821 | P2_1/c (14) | ✔ | 24 | 84 | 1 | 4.1064 | 4.146 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SiO2 | COD | 4124073 | R-3m (166) | ✔ | 18 | 96 | 3 | 4.1075 | 4.108 | 0.000 | (0;000) | ✗ | 02/02/17 |
| YH3(CO2)3 | ICSD | 109739 | R3m (160) | ✗ | 13 | 62 | 3 | 4.1092 | 4.109 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaC2N3 | COD | 4300181 | Pnma (62) | ✔ | 24 | 128 | 1 | 4.1109 | 4.141 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CoH3(CN)6 | ICSD | 28502 | P-31m (162) | ✔ | 16 | 74 | 3 | 4.1114 | 4.130 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgBr2 | COD | 9009107 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 4.1115 | 4.112 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba2TiOF6 | COD | 1000341 | Cc (9) | ✗ | 20 | 160 | 1 | 4.1131 | 4.113 | 0.000 | (0;000) | ✗ | 21/03/17 |
| B4CCl6O | ICSD | 280617 | R3m (160) | ✗ | 12 | 64 | 1 | 4.1136 | 4.192 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Y2O3 | ICSD | 181826 | C2/m (12) | ✔ | 15 | 120 | 3 | 4.1158 | 4.327 | 0.000 | (0;000) | ✗ | 27/01/17 |
| H2CBr2 | COD | 2100676 | C2/c (15) | ✔ | 20 | 80 | 1 | 4.1172 | 4.203 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrP2(HO3)2 | ICSD | 201970 | P-3m1 (164) | ✔ | 11 | 52 | 3 | 4.1243 | 4.124 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaCSN | ICSD | 22273 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.1244 | 4.235 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Y(HO)3 | COD | 4031388 | P6_3/m (176) | ✔ | 14 | 64 | 3 | 4.1247 | 4.125 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KRb2BiF6 | ICSD | 9387 | Fm-3m (225) | ✔ | 10 | 84 | 3 | 4.1293 | 4.131 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2NaBiF6 | ICSD | 9386 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 4.1294 | 4.307 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ge(SeO3)2 | ICSD | 422883 | P2_1/c (14) | ✔ | 18 | 104 | 3 | 4.1298 | 4.130 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2NaYBr6 | ICSD | 65733 | Fm-3m (225) | ✔ | 10 | 80 | 2 | 4.1305 | 4.131 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2Li2SiO4 | ICSD | 61086 | P-1 (2) | ✔ | 18 | 104 | 2 | 4.1321 | 4.216 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2HIO | ICSD | 74930 | Pnma (62) | ✔ | 20 | 80 | 1 | 4.1333 | 4.133 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaBr2 | COD | 1527183 | Pnma (62) | ✔ | 12 | 96 | 1 | 4.134 | 4.134 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2TiO3 | ICSD | 6101 | Cmce (64) | ✔ | 24 | 192 | 1 | 4.1346 | 4.155 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2Al2O3F2 | ICSD | 421736 | C2/m (12) | ✔ | 18 | 112 | 2 | 4.135 | 4.135 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BaN3Cl | ICSD | 418423 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 4.1365 | 4.321 | 0.000 | (0;000) | ✗ | 05/01/17 |
| LiI | ICSD | 414242 | P6_3mc (186) | ✗ | 4 | 20 | 1 | 4.1367 | 4.137 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlBr3 | ICSD | 83432 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 4.1378 | 4.138 | 0.000 | (0;000) | ✗ | 30/01/17 |
| AlH2PbO2F3 | ICSD | 79740 | P-1 (2) | ✔ | 18 | 104 | 2 | 4.138 | 4.338 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaMg(CO3)2 | ICSD | 193059 | R-3m (166) | ✔ | 10 | 64 | 2 | 4.141 | 4.238 | 0.000 | (0;000) | ✗ | 02/02/17 |
| As2O3 | COD | 4513566 | Fd-3m (227) | ✔ | 20 | 112 | 1 | 4.1418 | 4.179 | 0.000 | (0;000) | ✗ | 30/01/17 |
| RbBr | ICSD | 61560 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 4.1418 | 4.159 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnSO4 | COD | 9009831 | Pnma (62) | ✔ | 24 | 168 | 3 | 4.1427 | 4.192 | 0.000 | (0;000) | ✗ | 04/08/17 |
| AlInCl4 | COD | 2206752 | Pnma (62) | ✔ | 24 | 176 | 1 | 4.1454 | 4.271 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaCrO4 | COD | 5910178 | Pnma (62) | ✔ | 24 | 192 | 1 | 4.1477 | 4.160 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaCSNCl | ICSD | 94400 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 4.1497 | 4.249 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaCNO | COD | 1010310 | R3m (160) | ✗ | 4 | 24 | 1 | 4.1504 | 4.294 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ca3Tl5 | ICSD | 380324 | Cmcm (63) | ✔ | 16 | 190 | 3 | 4.1527 | 0.000 | 1.000 | (0;000) | ✗ | 21/03/17 |
| C | COD | 9012303 | Fd-3m (227) | ✔ | 2 | 8 | 3 | 4.1576 | 5.595 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AlB3N4 | ICSD | 187053 | P-43m (215) | ✗ | 8 | 32 | 3 | 4.1581 | 4.158 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaWO4 | ICSD | 52384 | I4_1/a (88) | ✔ | 12 | 124 | 2 | 4.1591 | 4.294 | 0.000 | (0;000) | ✗ | 11/04/17 |
| MgSiN2 | COD | 1520911 | Pna2_1 (33) | ✗ | 16 | 96 | 3 | 4.1594 | 4.589 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ScAsO4 | ICSD | 155920 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 4.1602 | 4.160 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca(CO)4 | ICSD | 248078 | I4_1/amd (141) | ✔ | 18 | 100 | 1 | 4.1602 | 4.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaAl4O7 | COD | 3500014 | C2/c (15) | ✔ | 24 | 128 | 3 | 4.1612 | 4.161 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaScAs2O7 | ICSD | 161501 | C2 (5) | ✗ | 11 | 72 | 3 | 4.1616 | 4.227 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TaAlO4 | COD | 2002498 | C2/m (12) | ✔ | 12 | 80 | 3 | 4.1642 | 4.519 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Zn(H4N5)2 | ICSD | 421952 | P-1 (2) | ✔ | 19 | 70 | 1 | 4.165 | 4.209 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrSeO4 | COD | 9014342 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 4.1668 | 4.182 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaAlAsO4F | COD | 1011040 | C2/c (15) | ✔ | 16 | 96 | 3 | 4.1684 | 4.168 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SiO2 | COD | 1010921 | P2_13 (198) | ✗ | 24 | 128 | 3 | 4.1689 | 4.182 | 0.000 | (0;000) | ✗ | 04/08/17 |
| P(CF3)2 | COD | 4321851 | P-1 (2) | ✔ | 18 | 110 | 1 | 4.1715 | 4.308 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HfO2 | COD | 9013470 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 4.1729 | 4.216 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2SiO3 | ICSD | 24664 | Ccm2_1 (36) | ✗ | 12 | 80 | 1 | 4.1761 | 4.502 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaCaVO4 | ICSD | 28121 | Cmcm (63) | ✔ | 14 | 112 | 1 | 4.1787 | 4.266 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2Li2SiO4 | ICSD | 33809 | P-1 (2) | ✔ | 18 | 104 | 2 | 4.1815 | 4.319 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SeOF2 | COD | 4031233 | Pca2_1 (29) | ✗ | 16 | 104 | 1 | 4.1822 | 4.182 | 0.000 | (0;000) | ✗ | 22/03/17 |
| NaCSN | ICSD | 953 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.1824 | 4.311 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BH8N | ICSD | 247614 | Pma2 (28) | ✗ | 20 | 32 | 1 | 4.1825 | 4.883 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Sr3V2O8 | ICSD | 167701 | R-3m (166) | ✔ | 13 | 104 | 1 | 4.1826 | 4.367 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BN | COD | 2016173 | P6_3/mmc (194) | ✔ | 4 | 16 | 2 | 4.1848 | 4.579 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K3SeO4F | ICSD | 82750 | I4/mcm (140) | ✔ | 18 | 128 | 3 | 4.1863 | 4.311 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SNF | ICSD | 21015 | R-3 (148) | ✔ | 18 | 108 | 1 | 4.1893 | 4.216 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrBe3O4 | ICSD | 26179 | P-62c (190) | ✗ | 16 | 92 | 1 | 4.1894 | 4.189 | 0.000 | (0;000) | ✗ | 15/02/17 |
| MgSeO3 | ICSD | 494 | Pnma (62) | ✔ | 20 | 136 | 3 | 4.1899 | 4.512 | 0.000 | (0;000) | ✗ | 02/02/17 |
| YClO | COD | 9009190 | P4/nmm (129) | ✔ | 6 | 48 | 3 | 4.19 | 4.190 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na3YBr6 | ICSD | 82355 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 4.1906 | 4.214 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KSrCO3F | ICSD | 262231 | P-6m2 (187) | ✗ | 7 | 48 | 1 | 4.1919 | 4.195 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiScAs2O7 | ICSD | 161499 | C2 (5) | ✗ | 11 | 66 | 3 | 4.194 | 4.317 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CaSn(BO3)2 | COD | 9009324 | R-3 (148) | ✔ | 10 | 66 | 2 | 4.1999 | 4.540 | 0.000 | (0;000) | ✗ | 05/01/17 |
| MgH2SeO5 | ICSD | 66745 | C2/c (15) | ✔ | 18 | 96 | 3 | 4.2015 | 4.202 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbBr | COD | 9008706 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 4.2029 | 4.203 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrCa(CO3)2 | ICSD | 201461 | Pmc2_1 (26) | ✗ | 20 | 128 | 1 | 4.2035 | 4.204 | 0.000 | (0;000) | ✗ | 21/03/17 |
| KH3O2 | ICSD | 47114 | P2_1/c (14) | ✔ | 24 | 96 | 1 | 4.2058 | 4.232 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Si(CN2)2 | COD | 1526364 | Pn-3m (224) | ✔ | 14 | 64 | 3 | 4.2091 | 4.209 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KNaW(OF2)2 | ICSD | 422709 | P4/nmm (129) | ✔ | 18 | 144 | 1 | 4.2098 | 0.002 | 1.000 | (0;000) | ✗ | 02/02/17 |
| TlGaCl4 | ICSD | 419825 | Pnma (62) | ✔ | 24 | 216 | 1 | 4.2125 | 4.236 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TeF4 | ICSD | 85452 | P2_12_12_1 (19) | ✗ | 20 | 136 | 2 | 4.2126 | 4.283 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SiBr4 | COD | 2105707 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 4.2129 | 4.288 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2ZnCl4 | ICSD | 402398 | Fd-3m (227) | ✔ | 14 | 92 | 2 | 4.2131 | 4.213 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ReH4NO4 | ICSD | 1394 | I4_1/a (88) | ✔ | 20 | 96 | 1 | 4.2132 | 4.213 | 0.000 | (0;000) | ✗ | 02/02/17 |