Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CdSeO3 | COD | 2009816 | Pnma (62) | ✔ | 20 | 144 | 3 | 3.3067 | 3.472 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2CaH4 | ICSD | 65196 | I4/mmm (139) | ✔ | 7 | 32 | 1 | 3.3079 | 3.308 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbNbAsClO5 | ICSD | 85758 | P4/nmm (129) | ✔ | 18 | 128 | 2 | 3.3107 | 3.329 | 0.000 | (0;000) | ✗ | 30/01/17 |
| LiRe(OF2)2 | COD | 4321982 | P-42_1m (113) | ✗ | 16 | 116 | 1 | 3.3117 | 3.315 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiIn(IO3)4 | ICSD | 422056 | P-1 (2) | ✔ | 18 | 116 | 2 | 3.3117 | 3.326 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na3ScBr6 | ICSD | 401335 | P-31c (163) | ✔ | 20 | 160 | 1 | 3.3129 | 3.319 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgS | ICSD | 159401 | F-43m (216) | ✗ | 2 | 16 | 3 | 3.3139 | 3.314 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KNO3 | ICSD | 71398 | R3m (160) | ✗ | 5 | 32 | 1 | 3.3139 | 3.314 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AsCl2F3 | ICSD | 33884 | P4/n (85) | ✔ | 24 | 160 | 1 | 3.3147 | 3.340 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H4C3O2 | COD | 2203632 | P-1 (2) | ✔ | 18 | 56 | 1 | 3.317 | 3.317 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BiPO4 | COD | 7023719 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 3.3191 | 3.364 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2CO3 | ICSD | 52535 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 3.3215 | 3.322 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaI3O8 | ICSD | 418336 | P-4 (81) | ✗ | 24 | 156 | 2 | 3.3231 | 3.422 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Zn2SiH2O5 | COD | 9008269 | Imm2 (44) | ✗ | 20 | 120 | 3 | 3.3232 | 3.515 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Li2ZnGeO4 | ICSD | 34362 | Pc (7) | ✗ | 16 | 92 | 3 | 3.3234 | 3.361 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K2Ti2O5 | ICSD | 36097 | C2/m (12) | ✔ | 9 | 72 | 2 | 3.3234 | 3.597 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2CaWO6 | COD | 2104688 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 3.3236 | 3.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HfO2 | ICSD | 83863 | Pnma (62) | ✔ | 12 | 96 | 3 | 3.3241 | 3.324 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na4CO4 | ICSD | 245412 | R3 (146) | ✗ | 9 | 64 | 1 | 3.325 | 3.663 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NbInO4 | COD | 1524100 | P2/c (13) | ✔ | 12 | 100 | 3 | 3.3256 | 3.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2TeO3 | COD | 1524895 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 3.3269 | 3.384 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2CN2 | ICSD | 411094 | C2/m (12) | ✔ | 5 | 32 | 1 | 3.3274 | 3.327 | 0.000 | (0;000) | ✗ | 27/01/17 |
| GaBN2 | ICSD | 187049 | P-4m2 (115) | ✗ | 4 | 26 | 3 | 3.328 | 3.344 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na2CrO4 | COD | 1010023 | Cmcm (63) | ✔ | 14 | 112 | 1 | 3.3328 | 3.360 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba2Cd(BO3)2 | ICSD | 180954 | C2/m (12) | ✔ | 11 | 74 | 2 | 3.3341 | 3.334 | 0.000 | (0;000) | ✗ | 05/01/17 |
| TaAlO4 | COD | 9004254 | Pbcn (60) | ✔ | 24 | 160 | 3 | 3.3363 | 3.479 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsTa(BO3)2 | ICSD | 80423 | Pmn2_1 (31) | ✗ | 20 | 128 | 3 | 3.3373 | 3.616 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Li6TeO6 | ICSD | 40247 | R-3 (148) | ✔ | 13 | 60 | 1 | 3.3411 | 3.564 | 0.000 | (0;000) | ✗ | 27/01/17 |
| H10C9O4 | COD | 2229064 | P1 (1) | ✗ | 23 | 70 | 1 | 3.3437 | 3.523 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ScBrO | COD | 2206575 | Pmmn (59) | ✔ | 6 | 48 | 2 | 3.3438 | 3.344 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cd(CO2)2 | COD | 2012182 | P2_1/c (14) | ✔ | 14 | 88 | 3 | 3.3446 | 3.396 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li3BN2 | ICSD | 155127 | I4_1/amd (141) | ✔ | 24 | 88 | 1 | 3.346 | 3.346 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Al3GaN4 | ICSD | 187056 | P-43m (215) | ✗ | 8 | 42 | 3 | 3.347 | 3.347 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbLiCrO4 | COD | 2100906 | P6_3 (173) | ✗ | 14 | 100 | 1 | 3.3493 | 3.409 | 0.000 | (0;000) | ✗ | 22/03/17 |
| KAs4ClO6 | ICSD | 65205 | P6/mmm (191) | ✔ | 12 | 72 | 1 | 3.35 | 3.425 | 0.000 | (0;000) | ✗ | 30/01/17 |
| H5C3NCl | COD | 7101077 | P-1 (2) | ✔ | 20 | 58 | 1 | 3.3502 | 3.410 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BN | ICSD | 162880 | Cc (9) | ✗ | 8 | 32 | 3 | 3.3515 | 4.168 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr2H3NO6 | ICSD | 415799 | P-62m (189) | ✗ | 12 | 64 | 1 | 3.355 | 3.611 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K4Be3O5 | ICSD | 33808 | C2/c (15) | ✔ | 24 | 156 | 1 | 3.3568 | 3.409 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H3AuC2NCl | ICSD | 152108 | P2_1 (4) | ✗ | 16 | 68 | 1 | 3.3571 | 3.585 | 0.000 | (0;000) | ✗ | 21/03/17 |
| LiI | ICSD | 44781 | P6_3/mmc (194) | ✔ | 4 | 20 | 1 | 3.3576 | 3.358 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Pb2S(O2F)2 | COD | 9001320 | C2/c (15) | ✔ | 18 | 144 | 3 | 3.3582 | 3.404 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba(SbO3)2 | COD | 2009658 | P-31m (162) | ✔ | 9 | 56 | 2 | 3.3588 | 3.441 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SnF3 | ICSD | 33786 | Fm-3m (225) | ✔ | 8 | 70 | 3 | 3.359 | 4.041 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiH3C2O5 | ICSD | 246786 | P1 (1) | ✗ | 11 | 44 | 1 | 3.3618 | 3.471 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Be3N2 | ICSD | 25656 | P6_3/mmc (194) | ✔ | 10 | 44 | 1 | 3.3628 | 4.793 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2TiSiO5 | ICSD | 87596 | P4/nmm (129) | ✔ | 18 | 104 | 2 | 3.363 | 3.614 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H4N2O3 | ICSD | 2772 | Pmmn (59) | ✔ | 18 | 64 | 1 | 3.3632 | 3.392 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2S | COD | 9009060 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 3.3651 | 4.208 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca(SbO3)2 | COD | 2009656 | P-31m (162) | ✔ | 9 | 56 | 2 | 3.3652 | 3.658 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbScO2 | ICSD | 31960 | P6_3/mmc (194) | ✔ | 8 | 64 | 2 | 3.3665 | 3.766 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CsGaS2 | COD | 1529692 | C2/c (15) | ✔ | 8 | 68 | 1 | 3.367 | 3.379 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SnPbF4 | ICSD | 152955 | P4/nmm (129) | ✔ | 12 | 112 | 1 | 3.3685 | 3.500 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TiCl4 | COD | 9007929 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 3.374 | 3.414 | 0.000 | (0;000) | ✗ | 07/08/17 |
| K2MgH4 | ICSD | 68358 | I4/mmm (139) | ✔ | 7 | 32 | 1 | 3.3744 | 3.781 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaBiClO2 | ICSD | 84635 | P2_1/m (11) | ✔ | 10 | 88 | 1 | 3.3755 | 3.652 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Na2TiGeO5 | ICSD | 91546 | P4/nmm (129) | ✔ | 18 | 128 | 2 | 3.3762 | 3.552 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na4CO4 | ICSD | 245413 | Cm (8) | ✗ | 9 | 64 | 1 | 3.3773 | 3.693 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cs3As5O9 | ICSD | 413151 | P31m (157) | ✗ | 17 | 106 | 1 | 3.3799 | 3.469 | 0.000 | (0;000) | ✗ | 21/03/17 |
| PbSeO4 | COD | 5910191 | Pnma (62) | ✔ | 24 | 176 | 3 | 3.3813 | 3.511 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KC | COD | 1521141 | I4_1/acd (142) | ✔ | 16 | 104 | 1 | 3.3837 | 3.412 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zn4B6O13 | COD | 1511638 | I-43m (217) | ✗ | 23 | 144 | 3 | 3.3838 | 3.384 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NbPO5 | COD | 1517726 | P4/nmm (129) | ✔ | 14 | 96 | 3 | 3.3846 | 3.666 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PbSeO4 | COD | 9014223 | P2_1/c (14) | ✔ | 24 | 176 | 3 | 3.3853 | 3.505 | 0.000 | (0;000) | ✗ | 04/08/17 |
| GaAsO4 | COD | 1518032 | P3_121 (152) | ✗ | 18 | 126 | 3 | 3.387 | 3.502 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Na4TiO4 | ICSD | 69621 | P-1 (2) | ✔ | 18 | 144 | 1 | 3.3873 | 3.439 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PBr3O | COD | 2106216 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.3896 | 3.488 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaAl2Sb2O7 | ICSD | 154362 | R32 (155) | ✗ | 12 | 68 | 2 | 3.3911 | 3.600 | 0.000 | (0;000) | ✗ | 16/03/17 |
| AgC2N3 | COD | 9007855 | Pnma (62) | ✔ | 24 | 136 | 3 | 3.3948 | 3.569 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ca4Al6O13 | COD | 1527947 | I-43m (217) | ✗ | 23 | 136 | 3 | 3.3952 | 3.473 | 0.000 | (0;000) | ✗ | 04/08/17 |
| FeSn2(CN)6 | ICSD | 51494 | P-3 (147) | ✔ | 15 | 90 | 3 | 3.3964 | 3.449 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaAlI4 | ICSD | 400521 | Pnma (62) | ✔ | 24 | 160 | 1 | 3.3972 | 3.397 | 0.000 | (0;000) | ✗ | 04/08/17 |
| C | COD | 9012242 | P6_3/mmc (194) | ✔ | 4 | 16 | 3 | 3.3976 | 4.784 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CdCl2 | COD | 9009125 | R-3m (166) | ✔ | 3 | 26 | 2 | 3.401 | 3.597 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2CdCl4 | COD | 2310671 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 3.4013 | 3.913 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AgC2N3 | ICSD | 843 | P3_121 (152) | ✗ | 18 | 102 | 3 | 3.4019 | 3.423 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Na3MoNO3 | ICSD | 98673 | Pmn2_1 (31) | ✗ | 16 | 128 | 1 | 3.4025 | 3.551 | 0.000 | (0;000) | ✗ | 29/03/17 |
| KYO2 | ICSD | 49650 | R-3m (166) | ✔ | 4 | 32 | 2 | 3.4027 | 3.622 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr(SbO3)2 | COD | 2009657 | P-31m (162) | ✔ | 9 | 56 | 2 | 3.4073 | 3.605 | 0.000 | (0;000) | ✗ | 27/01/17 |
| VOF3 | COD | 4339753 | P2_1/c (14) | ✔ | 20 | 160 | 2 | 3.4086 | 3.433 | 0.000 | (0;000) | ✗ | 02/02/17 |
| C5NCl5 | COD | 7221875 | Pc (7) | ✗ | 22 | 120 | 1 | 3.4089 | 3.409 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaCdF3 | ICSD | 163866 | R3c (161) | ✗ | 10 | 84 | 3 | 3.4133 | 3.413 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaMoO4 | COD | 9009638 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 3.4169 | 3.417 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiIO3 | ICSD | 14377 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.4203 | 3.524 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZrO2 | COD | 1522143 | P2_1/c (14) | ✔ | 12 | 64 | 3 | 3.4213 | 3.421 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na6CdCl8 | ICSD | 35070 | Fm-3m (225) | ✔ | 15 | 122 | 2 | 3.4215 | 3.422 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HgCl2 | COD | 1010620 | Pnma (62) | ✔ | 12 | 104 | 2 | 3.4224 | 3.429 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg2BBrN2 | ICSD | 261620 | C2/c (15) | ✔ | 12 | 80 | 3 | 3.4236 | 3.781 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CdF2 | ICSD | 183501 | Pnma (62) | ✔ | 12 | 104 | 3 | 3.4237 | 3.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca2MgWO6 | COD | 2013469 | P2_1/c (14) | ✔ | 20 | 160 | 3 | 3.4238 | 3.484 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdSO4 | ICSD | 100317 | Pn2_1m (31) | ✗ | 12 | 84 | 3 | 3.4241 | 3.718 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Te2SO7 | COD | 7035628 | Pmn2_1 (31) | ✗ | 20 | 120 | 3 | 3.4249 | 3.454 | 0.000 | (0;000) | ✗ | 29/03/17 |
| CS2NF5 | ICSD | 413754 | P-1 (2) | ✔ | 18 | 112 | 1 | 3.4262 | 3.430 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaPbF6 | ICSD | 25521 | R-3m (166) | ✔ | 8 | 66 | 1 | 3.4266 | 3.427 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CsCdF3 | ICSD | 49582 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 3.4268 | 4.435 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K3GeH2NO3 | ICSD | 79078 | P-1 (2) | ✔ | 20 | 112 | 1 | 3.4275 | 3.479 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H4C9OF4 | COD | 7204880 | P1 (1) | ✗ | 18 | 74 | 1 | 3.4283 | 3.555 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiNbO3 | ICSD | 169695 | R3c (161) | ✗ | 10 | 68 | 3 | 3.429 | 3.550 | 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 |
| Li5SbO5 | COD | 1530019 | C2/m (12) | ✔ | 11 | 50 | 1 | 3.4302 | 3.733 | 0.000 | (0;000) | ✗ | 27/01/17 |