▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BiClO | COD | 4509949 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 2.3075 | 2.699 | 0.000 | (0;000) | ✗ | 05/01/17 |
CsGeCl3 | ICSD | 23121 | R3 (146) | ✗ | 5 | 34 | 1 | 2.3076 | 2.309 | 0.000 | (0;000) | ✗ | 28/10/16 |
CsSbCl6 | ICSD | 155691 | Cc (9) | ✗ | 16 | 112 | 1 | 2.3084 | 2.309 | 0.000 | (0;000) | ✗ | 22/03/17 |
Li4H6Os | ICSD | 638269 | R-3c (167) | ✔ | 22 | 68 | 1 | 2.3096 | 2.310 | 0.000 | (0;000) | ✗ | 04/08/17 |
HgTeO3 | ICSD | 61673 | P-1 (2) | ✔ | 20 | 144 | 3 | 2.3102 | 2.493 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNO3 | ICSD | 52376 | Pnma (62) | ✔ | 20 | 128 | 1 | 2.3104 | 2.310 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgWO4 | COD | 2010794 | C2/c (15) | ✔ | 12 | 128 | 3 | 2.3115 | 2.754 | 0.000 | (0;000) | ✗ | 07/08/17 |
Li5ReO6 | ICSD | 74982 | C2/m (12) | ✔ | 12 | 66 | 1 | 2.3121 | 2.393 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sn2IF3 | ICSD | 38268 | Cmcm (63) | ✔ | 12 | 112 | 1 | 2.3121 | 2.457 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgSe | ICSD | 658986 | P6_3mc (186) | ✗ | 4 | 32 | 3 | 2.3123 | 2.313 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi2O3 | COD | 4332559 | Pccn (56) | ✔ | 20 | 192 | 3 | 2.313 | 2.314 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mg2SiO4 | ICSD | 189973 | Cmc2_1 (36) | ✗ | 14 | 96 | 3 | 2.3132 | 2.447 | 0.000 | (0;000) | ✗ | 15/02/17 |
LiMgN | COD | 1526992 | Pnma (62) | ✔ | 12 | 72 | 3 | 2.3137 | 2.314 | 0.000 | (0;000) | ✗ | 27/01/17 |
HPbIO | ICSD | 192169 | Pnma (62) | ✔ | 16 | 112 | 3 | 2.3146 | 2.398 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cl2 | COD | 1512500 | Cmce (64) | ✔ | 4 | 28 | 1 | 2.3148 | 2.315 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2GeS3 | COD | 8100500 | C2/m (12) | ✔ | 12 | 80 | 1 | 2.3151 | 2.399 | 0.000 | (0;000) | ✗ | 02/02/17 |
In2Ge2O7 | COD | 1530944 | C2/m (12) | ✔ | 11 | 76 | 3 | 2.3152 | 2.315 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgCrO4 | COD | 1008083 | Cmcm (63) | ✔ | 12 | 96 | 3 | 2.3153 | 2.398 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li6Br3N | ICSD | 84092 | P2_1/c (14) | ✔ | 20 | 88 | 1 | 2.3159 | 2.316 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zn(GaS2)2 | ICSD | 63242 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.316 | 2.316 | 0.000 | (0;000) | ✗ | 06/10/16 |
VBiO4 | COD | 9014682 | Pbcn (60) | ✔ | 24 | 208 | 3 | 2.3177 | 2.414 | 0.000 | (0;000) | ✗ | 04/08/17 |
KNaO | ICSD | 32743 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.318 | 2.413 | 0.000 | (0;000) | ✗ | 27/01/17 |
K4CO4 | ICSD | 245422 | C2 (5) | ✗ | 9 | 64 | 2 | 2.3193 | 2.486 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlGa3N4 | ICSD | 187054 | P-43m (215) | ✗ | 8 | 62 | 3 | 2.3197 | 2.320 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgH2 | ICSD | 155811 | Pbca (61) | ✔ | 24 | 96 | 1 | 2.3202 | 2.320 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li4Ca3(SiN3)2 | ICSD | 420675 | C2/m (12) | ✔ | 15 | 80 | 1 | 2.3217 | 2.395 | 0.000 | (0;000) | ✗ | 27/01/17 |
BNCl2 | ICSD | 27255 | R3 (146) | ✗ | 12 | 66 | 1 | 2.3231 | 2.367 | 0.000 | (0;000) | ✗ | 06/10/16 |
Tl4V2O7 | ICSD | 72810 | P-3m1 (164) | ✔ | 13 | 120 | 2 | 2.3238 | 2.339 | 0.000 | (0;000) | ✗ | 02/02/17 |
KLiZnO2 | ICSD | 49022 | C2/m (12) | ✔ | 10 | 72 | 3 | 2.3249 | 2.325 | 0.000 | (0;000) | ✗ | 27/01/17 |
YAuO2 | COD | 1510263 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 2.3253 | 2.480 | 0.000 | (0;000) | ✗ | 05/01/17 |
P4S5 | ICSD | 16681 | P2_1 (4) | ✗ | 18 | 100 | 1 | 2.3253 | 2.383 | 0.000 | (0;000) | ✗ | 29/03/17 |
CaS | COD | 9008606 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 2.3258 | 3.135 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgC2(SeN)2 | ICSD | 85760 | P2_1/c (14) | ✔ | 14 | 84 | 2 | 2.326 | 2.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3SbS4 | ICSD | 402642 | Cmc2_1 (36) | ✗ | 16 | 112 | 1 | 2.3264 | 2.327 | 0.000 | (0;000) | ✗ | 29/03/17 |
ScCuO2 | COD | 4000157 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 2.3272 | 2.327 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs4Ga2Se5 | ICSD | 30810 | P-1 (2) | ✔ | 22 | 184 | 2 | 2.3275 | 2.328 | 0.000 | (0;000) | ✗ | 07/08/17 |
BaTiO3 | ICSD | 73632 | R3m (160) | ✗ | 5 | 40 | 3 | 2.3277 | 2.617 | 0.000 | (0;000) | ✗ | 06/10/16 |
MoO3 | ICSD | 80577 | P2_1/m (11) | ✔ | 8 | 64 | 2 | 2.3284 | 3.028 | 0.000 | (0;000) | ✗ | 27/01/17 |
Bi3ClO4 | COD | 8101670 | C2/c (15) | ✔ | 16 | 152 | 2 | 2.3289 | 2.362 | 0.000 | (0;000) | ✗ | 02/02/17 |
KYGeS4 | ICSD | 603205 | P2_1 (4) | ✗ | 14 | 96 | 1 | 2.3292 | 2.482 | 0.000 | (0;000) | ✗ | 22/03/17 |
V2ZnO6 | ICSD | 30880 | C2/m (12) | ✔ | 9 | 74 | 3 | 2.3293 | 2.384 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb4CO4 | ICSD | 245443 | Cm (8) | ✗ | 9 | 64 | 3 | 2.3293 | 2.443 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsAgCl2 | COD | 1509264 | Cmcm (63) | ✔ | 8 | 68 | 2 | 2.3293 | 2.738 | 0.000 | (0;000) | ✗ | 30/01/17 |
Pb2ClOF | COD | 9012904 | Cmme (67) | ✔ | 10 | 96 | 2 | 2.3301 | 2.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
CS14 | ICSD | 26464 | R-3m (166) | ✔ | 15 | 88 | 2 | 2.3303 | 2.487 | 0.000 | (0;000) | ✗ | 02/02/17 |
KRbS | ICSD | 72326 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.3309 | 2.331 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3HWS4O | ICSD | 425986 | Pmn2_1 (31) | ✗ | 20 | 172 | 1 | 2.3309 | 2.332 | 0.000 | (0;000) | ✗ | 11/04/17 |
P3N5 | ICSD | 95782 | Imm2 (44) | ✗ | 8 | 40 | 3 | 2.3318 | 3.212 | 0.000 | (0;000) | ✗ | 15/02/17 |
Ca2NCl | ICSD | 62555 | R-3m (166) | ✔ | 4 | 32 | 1 | 2.3335 | 2.334 | 0.000 | (0;000) | ✗ | 27/01/17 |
C4SBr4 | COD | 2102931 | Pc (7) | ✗ | 18 | 100 | 1 | 2.3353 | 2.485 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ti3PbO7 | ICSD | 2104 | P2_1/m (11) | ✔ | 22 | 184 | 3 | 2.3353 | 2.681 | 0.000 | (0;000) | ✗ | 07/08/17 |
RbAu(IO3)4 | ICSD | 250788 | C2 (5) | ✗ | 18 | 120 | 3 | 2.3359 | 2.410 | 0.000 | (0;000) | ✗ | 21/03/17 |
Cd(GaS2)2 | ICSD | 619873 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.337 | 2.338 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsMnO4 | COD | 1521181 | Pnma (62) | ✔ | 24 | 192 | 1 | 2.339 | 2.372 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na3PS4 | ICSD | 72860 | P-42_1c (114) | ✗ | 16 | 112 | 1 | 2.3398 | 2.340 | 0.000 | (0;000) | ✗ | 29/03/17 |
CuCClO | ICSD | 63490 | Pmn2_1 (31) | ✗ | 8 | 56 | 2 | 2.3445 | 2.639 | 0.000 | (0;000) | ✗ | 15/02/17 |
N3Cl | ICSD | 424502 | Cmc2_1 (36) | ✗ | 8 | 44 | 1 | 2.3446 | 2.370 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2CuBrO2 | COD | 2002478 | R-3m (166) | ✔ | 6 | 50 | 2 | 2.3456 | 2.346 | 0.000 | (0;000) | ✗ | 05/01/17 |
Rb2NiF6 | ICSD | 29005 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 2.3477 | 2.348 | 0.000 | (0;000) | ✗ | 27/01/17 |
NO2 | ICSD | 52347 | Im3 (204) | ✔ | 18 | 102 | 1 | 2.3492 | 2.349 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2CaTa2O7 | ICSD | 245841 | I4/mmm (139) | ✔ | 12 | 84 | 2 | 2.3496 | 2.802 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ga4SnS7 | COD | 4001920 | Pc (7) | ✗ | 24 | 216 | 3 | 2.3502 | 2.560 | 0.000 | (0;000) | ✗ | 04/08/17 |
TaBiO4 | ICSD | 415849 | P-1 (2) | ✔ | 24 | 208 | 3 | 2.3509 | 2.351 | 0.000 | (0;000) | ✗ | 04/08/17 |
Tl4CuTe3 | ICSD | 629347 | I4/mcm (140) | ✔ | 16 | 162 | 3 | 2.3512 | 0.004 | 1.000 | (0;000) | ✗ | 02/02/17 |
BaBiIO2 | ICSD | 97511 | Cmcm (63) | ✔ | 10 | 88 | 2 | 2.3517 | 2.401 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuH6BrN2 | COD | 7104068 | C2/c (15) | ✔ | 20 | 68 | 1 | 2.3525 | 2.353 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs3Bi2Cl9 | ICSD | 23349 | P321 (150) | ✗ | 14 | 120 | 2 | 2.3527 | 2.440 | 0.000 | (0;000) | ✗ | 21/03/17 |
Zn(CO2)2 | ICSD | 109665 | P2_1/c (14) | ✔ | 14 | 88 | 3 | 2.3536 | 2.354 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba2SiSe4 | ICSD | 49750 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 2.3537 | 2.365 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbH3O2 | ICSD | 47115 | Cmc2_1 (36) | ✗ | 12 | 48 | 1 | 2.3548 | 2.373 | 0.000 | (0;000) | ✗ | 15/02/17 |
NbCl5 | ICSD | 66537 | P2_1/c (14) | ✔ | 24 | 192 | 3 | 2.3549 | 2.360 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaNbO3 | COD | 1528864 | Pmc2_1 (26) | ✗ | 20 | 160 | 3 | 2.3551 | 2.359 | 0.000 | (0;000) | ✗ | 29/03/17 |
Na2GeO3 | ICSD | 16833 | Ccm2_1 (36) | ✗ | 12 | 80 | 1 | 2.3556 | 2.502 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 73634 | R3m (160) | ✗ | 5 | 40 | 3 | 2.3562 | 2.657 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrH2 | COD | 9009206 | Cmcm (63) | ✔ | 6 | 24 | 1 | 2.3564 | 2.991 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaSbCl6 | ICSD | 36517 | P4_2/m (84) | ✔ | 16 | 112 | 1 | 2.3564 | 2.356 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2TeS3 | COD | 2008727 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 2.3568 | 2.390 | 0.000 | (0;000) | ✗ | 04/08/17 |
ZnO2 | ICSD | 60763 | Pa3 (205) | ✔ | 12 | 96 | 3 | 2.3571 | 2.488 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaTiO3 | ICSD | 73636 | R3m (160) | ✗ | 5 | 40 | 3 | 2.3575 | 2.655 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sc6WO12 | COD | 4001209 | R-3 (148) | ✔ | 19 | 152 | 3 | 2.3576 | 2.422 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiO2 | COD | 9009087 | Pbca (61) | ✔ | 24 | 192 | 3 | 2.3582 | 2.358 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaTiO3 | ICSD | 6102 | R3m (160) | ✗ | 5 | 40 | 3 | 2.3587 | 2.658 | 0.000 | (0;000) | ✗ | 06/10/16 |
Al2Si4O11 | COD | 1530328 | P-1 (2) | ✔ | 17 | 88 | 2 | 2.3592 | 2.359 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsRb2PdF5 | ICSD | 35286 | P4/mbm (127) | ✔ | 18 | 160 | 1 | 2.3602 | 2.364 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr3Zr2O7 | ICSD | 23731 | Pmmm (47) | ✔ | 24 | 160 | 3 | 2.3604 | 2.360 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2TeCl6 | COD | 1010188 | I4/mmm (139) | ✔ | 9 | 66 | 1 | 2.3605 | 2.621 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiInS2 | COD | 1508502 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 2.3606 | 2.361 | 0.000 | (0;000) | ✗ | 29/03/17 |
NaNb3O8 | COD | 9012849 | Ibam (72) | ✔ | 24 | 192 | 3 | 2.3615 | 2.429 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na3AuS2 | COD | 1510251 | R-3c (167) | ✔ | 12 | 100 | 1 | 2.363 | 2.771 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaNO | COD | 1528855 | C2/m (12) | ✔ | 12 | 96 | 3 | 2.3632 | 2.515 | 0.000 | (0;000) | ✗ | 27/01/17 |
KAgC2 | ICSD | 410874 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 2.3634 | 2.681 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaTiO3 | ICSD | 73629 | R3m (160) | ✗ | 5 | 40 | 3 | 2.3638 | 2.665 | 0.000 | (0;000) | ✗ | 06/10/16 |
Al2ZnSe4 | ICSD | 25636 | I-4 (82) | ✗ | 7 | 42 | 3 | 2.3639 | 2.364 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaClO4 | COD | 1010573 | F-43m (216) | ✗ | 6 | 40 | 1 | 2.3653 | 2.366 | 0.000 | (0;000) | ✗ | 15/02/17 |
Si3O7 | COD | 4124117 | P1 (1) | ✗ | 20 | 108 | 1 | 2.3654 | 0.031 | 1.000 | (0;000) | ✗ | 29/03/17 |
RbClO2 | ICSD | 162802 | Cmcm (63) | ✔ | 8 | 56 | 1 | 2.3666 | 2.928 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaIO4 | COD | 2106357 | I4_1/a (88) | ✔ | 12 | 80 | 1 | 2.3682 | 2.392 | 0.000 | (0;000) | ✗ | 30/01/17 |
Al2CdS4 | ICSD | 43025 | Fd-3m (227) | ✔ | 14 | 84 | 3 | 2.3691 | 2.369 | 0.000 | (0;000) | ✗ | 30/01/17 |
RbNaS | COD | 9007814 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.3693 | 2.442 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbBS3 | COD | 1511306 | P2_1/c (14) | ✔ | 20 | 120 | 1 | 2.3694 | 2.627 | 0.000 | (0;000) | ✗ | 02/02/17 |