▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ba2CaTeO6 | ICSD | 246112 | Fm-3m (225) | ✔ | 10 | 72 | 1 | 3.1007 | 3.101 | 0.000 | (0;000) | ✗ | 05/01/17 |
Rb4PbBr6 | ICSD | 65300 | R-3c (167) | ✔ | 22 | 184 | 1 | 3.1013 | 3.112 | 0.000 | (0;000) | ✗ | 07/08/17 |
PBr3 | ICSD | 8052 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.1017 | 3.223 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaNb3O8 | COD | 1001745 | Pmmn (59) | ✔ | 24 | 192 | 1 | 3.1021 | 3.402 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsMgI3 | ICSD | 87262 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 3.1028 | 3.128 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Ge2Pb2O7 | ICSD | 30247 | P-3 (147) | ✔ | 13 | 96 | 1 | 3.1033 | 3.303 | 0.000 | (0;000) | ✗ | 02/02/17 |
In2Si2O7 | COD | 8101227 | C2/m (12) | ✔ | 11 | 76 | 3 | 3.1038 | 3.104 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr4I6O | COD | 2200256 | P6_3mc (186) | ✗ | 22 | 176 | 1 | 3.1042 | 3.104 | 0.000 | (0;000) | ✗ | 07/08/17 |
NaLiS | ICSD | 61091 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.1045 | 3.105 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgTeMoO6 | ICSD | 184714 | P2_12_12 (18) | ✗ | 18 | 132 | 2 | 3.1056 | 3.166 | 0.000 | (0;000) | ✗ | 29/03/17 |
LiNO3 | ICSD | 67981 | R-3c (167) | ✔ | 10 | 52 | 2 | 3.109 | 3.486 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsNaC2 | ICSD | 189824 | Pbcm (57) | ✔ | 16 | 104 | 1 | 3.1107 | 3.210 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgI2 | COD | 9009108 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 3.1114 | 3.286 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cs2AgCl3 | COD | 2310063 | Pnma (62) | ✔ | 24 | 200 | 1 | 3.1119 | 3.112 | 0.000 | (0;000) | ✗ | 04/08/17 |
KCdF3 | ICSD | 44788 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 3.1149 | 5.088 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaSbO3 | COD | 9005220 | R-3 (148) | ✔ | 10 | 64 | 1 | 3.1157 | 3.254 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScCl3 | ICSD | 38235 | R-3 (148) | ✔ | 8 | 64 | 2 | 3.1158 | 3.286 | 0.000 | (0;000) | ✗ | 06/10/16 |
VInO4 | COD | 4336635 | Cmcm (63) | ✔ | 12 | 100 | 3 | 3.1178 | 3.118 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2CdWO6 | ICSD | 71839 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 3.1187 | 3.218 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbSO3 | ICSD | 35360 | Pnma (62) | ✔ | 20 | 152 | 3 | 3.1187 | 3.119 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnF2 | COD | 1523455 | C2/c (15) | ✔ | 24 | 224 | 3 | 3.1191 | 3.119 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiGaBr3 | ICSD | 61338 | P2_1/m (11) | ✔ | 20 | 148 | 1 | 3.1198 | 3.120 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2ZrO3 | COD | 2300535 | C2/c (15) | ✔ | 12 | 56 | 3 | 3.12 | 3.329 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsPb2Cl5 | COD | 4302867 | I4/mcm (140) | ✔ | 16 | 144 | 2 | 3.12 | 3.294 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrBiClO2 | ICSD | 84636 | Cmcm (63) | ✔ | 10 | 88 | 1 | 3.1208 | 3.196 | 0.000 | (0;000) | ✗ | 05/01/17 |
ZnCl2 | COD | 9009136 | R-3m (166) | ✔ | 3 | 26 | 2 | 3.1235 | 3.189 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbClF | COD | 1011046 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 3.1252 | 3.139 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2BeO2 | ICSD | 23633 | P2_1/c (14) | ✔ | 20 | 136 | 3 | 3.1261 | 3.253 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaHI | COD | 9009167 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.1277 | 3.128 | 0.000 | (0;000) | ✗ | 21/03/17 |
PbWO4 | COD | 9009815 | I4_1/a (88) | ✔ | 12 | 132 | 3 | 3.1278 | 3.239 | 0.000 | (0;000) | ✗ | 07/08/17 |
Mg2BiAsO6 | ICSD | 73895 | Cmcm (63) | ✔ | 20 | 152 | 3 | 3.1285 | 3.129 | 0.000 | (0;000) | ✗ | 30/01/17 |
BiF5 | ICSD | 25023 | I4/m (87) | ✔ | 6 | 50 | 2 | 3.1288 | 3.527 | 0.000 | (0;000) | ✗ | 05/01/17 |
P2Pb3O8 | COD | 2102273 | R-3m (166) | ✔ | 13 | 100 | 1 | 3.1324 | 3.247 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnSeO3 | ICSD | 163221 | Pnma (62) | ✔ | 20 | 144 | 3 | 3.1331 | 3.445 | 0.000 | (0;000) | ✗ | 29/03/17 |
Ba(Si3N4)2 | ICSD | 417444 | Imm2 (44) | ✗ | 15 | 74 | 3 | 3.1372 | 3.321 | 0.000 | (0;000) | ✗ | 15/02/17 |
CaPS3 | ICSD | 405192 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 3.1376 | 3.138 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiAlSe2 | COD | 4321118 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 3.1395 | 3.140 | 0.000 | (0;000) | ✗ | 16/03/17 |
SrPS3 | ICSD | 405191 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 3.1418 | 3.142 | 0.000 | (0;000) | ✗ | 02/02/17 |
P4N3Cl11 | ICSD | 71913 | R3 (146) | ✗ | 18 | 112 | 1 | 3.143 | 3.145 | 0.000 | (0;000) | ✗ | 22/03/17 |
Ba3Nb2ZnO9 | ICSD | 157044 | P-3m1 (164) | ✔ | 15 | 122 | 3 | 3.1434 | 3.342 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbTlF4 | ICSD | 4047 | Pca2_1 (29) | ✗ | 24 | 200 | 1 | 3.1437 | 3.213 | 0.000 | (0;000) | ✗ | 04/08/17 |
KBrO3 | ICSD | 33663 | R3m (160) | ✗ | 5 | 34 | 1 | 3.1451 | 3.145 | 0.000 | (0;000) | ✗ | 06/10/16 |
BN | ICSD | 162883 | P2_1/c (14) | ✔ | 8 | 32 | 2 | 3.1457 | 3.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
KNO3 | ICSD | 260601 | R3m (160) | ✗ | 5 | 32 | 1 | 3.1468 | 3.147 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiGaS2 | COD | 1531588 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 3.1472 | 3.147 | 0.000 | (0;000) | ✗ | 22/03/17 |
Ca2GeO4 | COD | 1527982 | I4/mmm (139) | ✔ | 7 | 48 | 2 | 3.1506 | 3.559 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbScO2 | ICSD | 31959 | R-3m (166) | ✔ | 4 | 32 | 2 | 3.1509 | 3.502 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2Ta2O7 | COD | 2106523 | Cmc2_1 (36) | ✗ | 22 | 176 | 2 | 3.1509 | 3.166 | 0.000 | (0;000) | ✗ | 07/08/17 |
Na4CO4 | ICSD | 245408 | I-42m (121) | ✗ | 9 | 64 | 1 | 3.1526 | 3.153 | 0.000 | (0;000) | ✗ | 07/10/16 |
CIF2 | COD | 7200677 | P2_1/c (14) | ✔ | 16 | 100 | 1 | 3.1528 | 3.212 | 0.000 | (0;000) | ✗ | 02/02/17 |