Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Zn2PHO5 | COD | 9009553 | P-1 (2) | ✔ | 18 | 120 | 3 | 3.4318 | 3.541 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KH | COD | 9008653 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 3.434 | 3.434 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li3BN2 | ICSD | 41022 | P2_1/c (14) | ✔ | 24 | 88 | 1 | 3.4359 | 3.802 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiNbO3 | ICSD | 164260 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4367 | 3.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 28294 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4374 | 3.461 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PH4I | ICSD | 22083 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 3.441 | 3.570 | 0.000 | (0;000) | ✗ | 29/03/17 |
| LiNbO3 | ICSD | 155361 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4414 | 3.465 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbSO4F | ICSD | 8275 | P-1 (2) | ✔ | 14 | 92 | 1 | 3.4419 | 3.442 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg2BiPO6 | ICSD | 73894 | Cmcm (63) | ✔ | 20 | 152 | 3 | 3.4419 | 3.449 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaSiO3 | COD | 9010192 | R-3m (166) | ✔ | 15 | 96 | 3 | 3.4421 | 3.543 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CaSnO3 | COD | 1004022 | R-3 (148) | ✔ | 10 | 84 | 1 | 3.4424 | 3.721 | 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 |
| NaCdF3 | ICSD | 163867 | R3c (161) | ✗ | 10 | 84 | 3 | 3.449 | 3.449 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiO2 | ICSD | 75668 | Pc (7) | ✗ | 12 | 64 | 3 | 3.4494 | 3.876 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrTeO3 | ICSD | 182023 | P2_1/c (14) | ✔ | 20 | 136 | 1 | 3.4504 | 3.491 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiTlPHO3 | ICSD | 201040 | C2 (5) | ✗ | 14 | 80 | 1 | 3.4505 | 3.514 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiTaO3 | ICSD | 84226 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4507 | 3.498 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 164933 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4522 | 3.474 | 0.000 | (0;000) | ✗ | 06/10/16 |
| C | COD | 9012238 | Ia3 (206) | ✔ | 8 | 32 | 3 | 3.4586 | 3.459 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgBrO3 | ICSD | 31925 | C2/c (15) | ✔ | 20 | 148 | 2 | 3.4599 | 3.523 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li3SbO4 | COD | 2012121 | P2/c (13) | ✔ | 16 | 76 | 1 | 3.4604 | 3.474 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca3V2O8 | COD | 9014364 | C2/m (12) | ✔ | 13 | 104 | 1 | 3.4615 | 3.672 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaClO4 | COD | 1010214 | Cmcm (63) | ✔ | 12 | 80 | 1 | 3.4632 | 3.634 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiNbO3 | ICSD | 155360 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4643 | 3.506 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgSiN2 | ICSD | 44109 | I-42d (122) | ✗ | 8 | 48 | 3 | 3.4662 | 3.893 | 0.000 | (0;000) | ✗ | 07/10/16 |
| NaCaVO4 | ICSD | 32573 | Cmcm (63) | ✔ | 14 | 112 | 1 | 3.467 | 3.486 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsMoO2F3 | ICSD | 9710 | Imma (74) | ✔ | 14 | 112 | 1 | 3.4674 | 3.490 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrBr2 | COD | 9009205 | Pnma (62) | ✔ | 12 | 96 | 1 | 3.4695 | 3.470 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaNO | ICSD | 66978 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 3.4734 | 3.473 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CaN6 | ICSD | 412259 | Fddd (70) | ✔ | 14 | 80 | 1 | 3.4748 | 3.475 | 0.000 | (0;000) | ✗ | 27/01/17 |
| As2O3 | COD | 4506960 | P2_1/c (14) | ✔ | 20 | 112 | 2 | 3.4753 | 3.656 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BiPO4 | COD | 7023720 | P2_1/m (11) | ✔ | 12 | 88 | 3 | 3.4763 | 3.555 | 0.000 | (0;000) | ✗ | 05/01/17 |
| LiMgVO4 | ICSD | 63477 | Cmcm (63) | ✔ | 14 | 100 | 3 | 3.4781 | 3.478 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2Al2Sb2O7 | COD | 2010514 | P-3m1 (164) | ✔ | 13 | 76 | 1 | 3.4792 | 3.657 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Li3BN2 | COD | 1511227 | P4_2/mnm (136) | ✔ | 12 | 44 | 1 | 3.4812 | 4.061 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ScCl3 | ICSD | 74517 | R-3 (148) | ✔ | 8 | 64 | 2 | 3.482 | 3.639 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HC3Cl2 | COD | 2100447 | P-1 (2) | ✔ | 24 | 108 | 1 | 3.4831 | 3.649 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiGaO2 | COD | 1526802 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 3.4861 | 3.487 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SrGeTeO6 | ICSD | 88790 | P312 (149) | ✗ | 9 | 56 | 2 | 3.4878 | 3.771 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Hg(C2F3)2 | ICSD | 165635 | P-1 (2) | ✔ | 11 | 70 | 1 | 3.4881 | 3.797 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrO2 | COD | 1526427 | P4_2/nmc (137) | ✔ | 6 | 32 | 3 | 3.4892 | 3.667 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrCl4 | ICSD | 26049 | P2/c (13) | ✔ | 10 | 64 | 1 | 3.4913 | 3.573 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2CO3 | COD | 1527331 | P2_1/c (14) | ✔ | 24 | 160 | 3 | 3.4916 | 3.511 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CBr3F | ICSD | 72370 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.4942 | 3.524 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbScO2 | COD | 1528203 | P6_3/mmc (194) | ✔ | 8 | 64 | 2 | 3.4955 | 3.922 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TaAgF6 | COD | 1509333 | P4_2/mcm (132) | ✔ | 16 | 132 | 3 | 3.4968 | 3.507 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CaZrO3 | COD | 1532747 | Pnma (62) | ✔ | 20 | 128 | 3 | 3.4975 | 3.498 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiGaBr4 | ICSD | 61337 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 3.4986 | 3.499 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Mg2GeO4 | COD | 9010486 | Fd-3m (227) | ✔ | 14 | 96 | 3 | 3.5003 | 3.500 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2LiInCl6 | ICSD | 65735 | R-3m (166) | ✔ | 20 | 152 | 1 | 3.5009 | 3.501 | 0.000 | (0;000) | ✗ | 22/03/17 |
| K4CO4 | ICSD | 245425 | I-4 (82) | ✗ | 9 | 64 | 3 | 3.5033 | 3.565 | 0.000 | (0;000) | ✗ | 06/10/16 |
| YVO4 | ICSD | 174550 | I4_1/a (88) | ✔ | 12 | 96 | 3 | 3.5058 | 3.536 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnF2 | COD | 9007539 | P4_2/mnm (136) | ✔ | 6 | 52 | 3 | 3.5066 | 3.507 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AlClO | COD | 9009194 | Pmmn (59) | ✔ | 6 | 32 | 2 | 3.5066 | 3.673 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Te2O3F2 | ICSD | 82162 | P-1 (2) | ✔ | 14 | 88 | 2 | 3.5099 | 3.574 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrO2 | COD | 9009919 | Pca2_1 (29) | ✗ | 12 | 64 | 3 | 3.5103 | 3.622 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CaH2CClO3 | ICSD | 95291 | C2/m (12) | ✔ | 16 | 82 | 1 | 3.5109 | 3.606 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SbIrSe | ICSD | 640966 | P2_13 (198) | ✗ | 12 | 112 | 3 | 3.5112 | 1.511 | 1.000 | (0;000) | ✗ | 29/03/17 |
| TaBO4 | COD | 1511288 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 3.5135 | 3.581 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sn2ClF3 | COD | 4031432 | P2_12_12_1 (19) | ✗ | 24 | 224 | 3 | 3.5136 | 3.539 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HOF | ICSD | 63681 | P2_12_12_1 (19) | ✗ | 12 | 56 | 1 | 3.5169 | 3.518 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiHS | COD | 1532755 | Pmc2_1 (26) | ✗ | 12 | 40 | 1 | 3.5171 | 3.517 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaTaGeO5 | COD | 2102920 | C2/c (15) | ✔ | 16 | 112 | 3 | 3.5172 | 3.518 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba3SiO5 | COD | 2106454 | I4/mcm (140) | ✔ | 18 | 128 | 1 | 3.5175 | 3.553 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrI2 | ICSD | 203137 | Pnma (62) | ✔ | 12 | 96 | 1 | 3.5183 | 3.518 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2ZrCl6 | COD | 1010223 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 3.5199 | 3.520 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SnF4 | COD | 1528582 | I4/mmm (139) | ✔ | 5 | 42 | 2 | 3.52 | 3.723 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BeI2 | COD | 1526852 | Ibam (72) | ✔ | 6 | 36 | 1 | 3.5201 | 3.752 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2CO3 | ICSD | 662 | C2/c (15) | ✔ | 12 | 80 | 1 | 3.5203 | 3.520 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SeO2 | ICSD | 99464 | Pmc2_1 (26) | ✗ | 12 | 72 | 2 | 3.521 | 3.788 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CdPd(CN)6 | ICSD | 6093 | Fm-3m (225) | ✔ | 14 | 84 | 3 | 3.5232 | 3.633 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaSn2F6 | COD | 1526708 | P-1 (2) | ✔ | 18 | 160 | 1 | 3.5254 | 3.609 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ga3PO7 | ICSD | 162060 | P1 (1) | ✗ | 11 | 86 | 3 | 3.5259 | 3.528 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CsTa(PO4)2 | ICSD | 20726 | P-1 (2) | ✔ | 12 | 80 | 2 | 3.5265 | 3.612 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaZrGeO5 | ICSD | 154327 | P-1 (2) | ✔ | 16 | 96 | 3 | 3.5272 | 3.527 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiH2N | COD | 4124005 | I-4 (82) | ✗ | 16 | 40 | 1 | 3.5285 | 3.667 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2TeO3 | ICSD | 4317 | C2/c (15) | ✔ | 24 | 120 | 1 | 3.5317 | 3.761 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr2YTaO6 | ICSD | 247458 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 3.5326 | 3.533 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsNaTiO3 | ICSD | 78752 | Cmcm (63) | ✔ | 12 | 96 | 3 | 3.5344 | 3.588 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiNbO3 | ICSD | 415526 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5351 | 3.564 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 94492 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5371 | 3.599 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiC | COD | 1521871 | Immm (71) | ✔ | 4 | 14 | 1 | 3.5408 | 3.819 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SNF | COD | 2310697 | P-42_1c (114) | ✗ | 24 | 144 | 1 | 3.5409 | 3.846 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ZnCN2 | COD | 2011885 | I-42d (122) | ✗ | 16 | 104 | 3 | 3.5423 | 3.901 | 0.000 | (0;000) | ✗ | 22/03/17 |
| BH4C3O2 | COD | 2204051 | P-1 (2) | ✔ | 20 | 62 | 1 | 3.5427 | 3.639 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KBrF4 | COD | 1524295 | I4/mcm (140) | ✔ | 12 | 88 | 1 | 3.5441 | 3.575 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsNb(BO3)2 | COD | 2003948 | Pmn2_1 (31) | ✗ | 20 | 128 | 3 | 3.5447 | 3.717 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Rb2Li2GeO4 | ICSD | 61087 | P-1 (2) | ✔ | 18 | 104 | 3 | 3.548 | 3.632 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P4SeO7 | ICSD | 405209 | P-1 (2) | ✔ | 24 | 136 | 1 | 3.5481 | 3.651 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cs4PbCl6 | ICSD | 41382 | R-3c (167) | ✔ | 22 | 184 | 1 | 3.5486 | 3.549 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Rb3CO3F | ICSD | 66029 | R-3c (167) | ✔ | 16 | 112 | 1 | 3.5487 | 3.549 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Bi(BO2)3 | ICSD | 173745 | C2 (5) | ✗ | 10 | 50 | 3 | 3.5492 | 3.755 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2CO3 | COD | 1531432 | P6_3/mcm (193) | ✔ | 12 | 56 | 1 | 3.5493 | 4.009 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiNbO3 | ICSD | 35014 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5503 | 3.611 | 0.000 | (0;000) | ✗ | 06/10/16 |
| As3(HO2)5 | COD | 2310419 | P-1 (2) | ✔ | 18 | 80 | 3 | 3.5509 | 3.609 | 0.000 | (0;000) | ✗ | 05/01/17 |
| LiNbO3 | ICSD | 61118 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5511 | 3.607 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ReO2F3 | ICSD | 415421 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 3.5528 | 3.553 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiTa3O8 | COD | 9012127 | C2/c (15) | ✔ | 24 | 180 | 3 | 3.5605 | 3.610 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RbTa(PO4)2 | ICSD | 54098 | C2/m (12) | ✔ | 12 | 80 | 2 | 3.5625 | 3.682 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2Al2Sb2O7 | ICSD | 154360 | P-3m1 (164) | ✔ | 13 | 76 | 1 | 3.5646 | 3.690 | 0.000 | (0;000) | ✗ | 30/01/17 |