▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Na3YCl6 | COD | 9007973 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 5.2619 | 5.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaSbCl6 | ICSD | 36517 | P4_2/m (84) | ✔ | 16 | 112 | 1 | 2.3564 | 2.356 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbS2NCl6 | ICSD | 2441 | Immm (71) | ✔ | 10 | 64 | 1 | 1.8567 | 1.857 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pd(PbCl3)2 | ICSD | 78873 | P2_1/c (14) | ✔ | 18 | 176 | 3 | 1.4312 | 1.530 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2PbCl6 | COD | 1010241 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 1.5379 | 1.538 | 0.000 | (0;000) | ✗ | 02/02/17 |
ICl | ICSD | 26032 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 0.0 | 0.196 | 0.034 | (0;000) | ✗ | 02/02/17 |
Rb2PdCl6 | COD | 1010889 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 0.9163 | 0.957 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pd(SCl3)2 | ICSD | 39434 | P-1 (2) | ✔ | 9 | 72 | 1 | 1.4965 | 1.500 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pd(SeCl3)2 | ICSD | 39435 | C2/c (15) | ✔ | 18 | 144 | 1 | 1.6214 | 1.627 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2PtCl6 | COD | 1010237 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.7119 | 1.712 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pt(SCl3)2 | ICSD | 66013 | P-1 (2) | ✔ | 9 | 64 | 1 | 1.6439 | 1.676 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2PtCl6 | COD | 1010239 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 1.619 | 1.664 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2SeCl6 | COD | 1010221 | Fm-3m (225) | ✔ | 9 | 66 | 1 | 2.4927 | 2.728 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2SnCl6 | COD | 1010175 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 2.7072 | 2.707 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2TeCl6 | COD | 1010232 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 2.5055 | 2.733 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2TiCl6 | COD | 1010193 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 2.2001 | 2.243 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2WCl6 | COD | 8100738 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 0.0 | 0.000 | 0.352 | (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 |
Tl2SnCl6 | COD | 1010177 | Fm-3m (225) | ✔ | 9 | 82 | 1 | 2.9112 | 2.911 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta(TeCl3)2 | ICSD | 401907 | P-1 (2) | ✔ | 18 | 134 | 1 | 1.1359 | 1.136 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2TeCl6 | COD | 1010192 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 2.4889 | 2.708 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2WCl6 | ICSD | 409229 | Fm-3m (225) | ✔ | 9 | 82 | 1 | 0.0 | 0.000 | 0.836 | (0;000) | ✗ | 02/02/17 |
K3Mn2Cl7 | ICSD | 36127 | I4/mmm (139) | ✔ | 12 | 106 | 2 | 0.0 | 0.004 | 0.851 | (0;000) | ✗ | 02/02/17 |
BaO | COD | 1527735 | P4/nmm (129) | ✔ | 4 | 32 | 3 | 1.9651 | 1.965 | 0.000 | (0;000) | ✗ | 05/01/17 |
Li6FeCl8 | ICSD | 73217 | Fm-3m (225) | ✔ | 15 | 82 | 2 | 0.6417 | 0.642 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2Hg2PdCl8 | ICSD | 203187 | C2/m (12) | ✔ | 13 | 116 | 1 | 1.737 | 1.763 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2Hg2PdCl8 | ICSD | 203186 | C2/m (12) | ✔ | 13 | 124 | 1 | 1.6229 | 1.675 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbI3Cl8 | ICSD | 26402 | P-1 (2) | ✔ | 12 | 82 | 3 | 1.2444 | 1.285 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaCu3Te4 | ICSD | 629308 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.0132 | 1.582 | 0.000 | (0;000) | ✗ | 06/10/16 |
Nb2Tl5S4Cl9 | ICSD | 417942 | Immm (71) | ✔ | 20 | 178 | 1 | 1.5376 | 1.546 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaZnSO | COD | 4310117 | Cmcm (63) | ✔ | 8 | 68 | 2 | 2.2859 | 2.344 | 0.000 | (0;000) | ✗ | 05/01/17 |
CuHgSeCl | COD | 1001109 | Pbam (55) | ✔ | 16 | 144 | 3 | 0.868 | 0.874 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuHgSCl | ICSD | 98872 | Pmma (51) | ✔ | 16 | 144 | 2 | 1.3992 | 1.571 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaCu3Te4 | ICSD | 80282 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.0131 | 1.581 | 0.000 | (0;000) | ✗ | 06/10/16 |
VCu3Te4 | ICSD | 629351 | P-43m (215) | ✗ | 8 | 70 | 3 | 0.4613 | 0.880 | 0.000 | (0;000) | ✔ | 06/10/16 |
CuCl | COD | 9013927 | Pa3 (205) | ✔ | 16 | 144 | 3 | 0.5672 | 0.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuSe2Cl | ICSD | 68292 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.7697 | 0.926 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuTe2Cl | ICSD | 641 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.517 | 0.717 | 0.000 | (0;000) | ✗ | 02/02/17 |
ClF3 | COD | 1529706 | Pnma (62) | ✔ | 16 | 112 | 1 | 2.7457 | 2.765 | 0.000 | (0;000) | ✗ | 02/02/17 |
ReNClF5 | ICSD | 33542 | P2_1/m (11) | ✔ | 16 | 124 | 1 | 1.9084 | 1.916 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(ZnP)2 | COD | 7221353 | I4/mmm (139) | ✔ | 5 | 44 | 2 | 0.0 | 0.286 | 0.109 | (0;000) | ✗ | 05/01/17 |
SbCl(OF3)2 | COD | 4305990 | P2/c (13) | ✔ | 20 | 132 | 1 | 2.0676 | 2.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbClF8 | COD | 1533112 | P-1 (2) | ✔ | 20 | 136 | 1 | 3.0697 | 3.115 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(P2Pd)2 | ICSD | 75020 | I4/mmm (139) | ✔ | 7 | 66 | 2 | 0.0 | 0.025 | 0.332 | (0;000) | ✗ | 05/01/17 |
Sr2FeClO3 | ICSD | 93508 | P4/nmm (129) | ✔ | 14 | 106 | 1 | 0.0 | 0.000 | 0.744 | (0;000) | ✗ | 02/02/17 |
Na6S2ClO8F | ICSD | 52291 | Fm-3m (225) | ✔ | 18 | 128 | 1 | 4.8534 | 4.856 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na6S2ClO8F | COD | 1011182 | Fm-3m (225) | ✔ | 18 | 128 | 1 | 4.6318 | 4.636 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pb2ClOF | COD | 9012904 | Cmme (67) | ✔ | 10 | 96 | 2 | 2.3301 | 2.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnClF | ICSD | 647 | Pnma (62) | ✔ | 12 | 112 | 2 | 3.2601 | 3.299 | 0.000 | (0;000) | ✗ | 02/02/17 |
GaTeCl | COD | 7221395 | Pnnm (58) | ✔ | 12 | 104 | 2 | 2.0533 | 2.053 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiH2ClO | COD | 2201759 | Cmcm (63) | ✔ | 20 | 72 | 1 | 5.5527 | 5.579 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg2ClO | COD | 2310659 | C2/c (15) | ✔ | 16 | 148 | 3 | 1.3653 | 1.404 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg2ClO | COD | 9009904 | C2/c (15) | ✔ | 16 | 148 | 3 | 1.8283 | 1.933 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg2P3Cl | ICSD | 74771 | C2/c (15) | ✔ | 12 | 92 | 3 | 1.102 | 1.651 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiO2 | ICSD | 100341 | P3_221 (154) | ✗ | 9 | 48 | 3 | 6.0022 | 6.297 | 0.000 | (0;000) | ✗ | 06/10/16 |
HPbClO | COD | 9008250 | Pnma (62) | ✔ | 16 | 112 | 1 | 3.0497 | 3.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
ICl | ICSD | 23886 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 1.283 | 1.441 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiCN | COD | 9008984 | Pnma (62) | ✔ | 12 | 48 | 1 | 5.7574 | 5.757 | 0.000 | (0;000) | ✗ | 02/02/17 |
InSb2S4Cl | ICSD | 159468 | C2/m (12) | ✔ | 16 | 108 | 3 | 1.4761 | 1.484 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiCSN | ICSD | 425061 | Pnma (62) | ✔ | 16 | 72 | 1 | 3.7343 | 4.049 | 0.000 | (0;000) | ✗ | 02/02/17 |
ICl | COD | 9008992 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 1.6268 | 1.696 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbICl | ICSD | 22137 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.9909 | 2.048 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnICl | ICSD | 23262 | Pnma (62) | ✔ | 12 | 112 | 1 | 2.1913 | 2.256 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3ClO | ICSD | 78891 | Pnma (62) | ✔ | 20 | 160 | 1 | 1.1192 | 1.119 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zr3(Cu2Ge)2 | ICSD | 53286 | P-62m (189) | ✗ | 9 | 64 | 3 | 0.0 | 0.010 | 0.223 | (0;000) | ✔ | 06/10/16 |
KMoPClO5 | ICSD | 50988 | P4/nmm (129) | ✔ | 18 | 130 | 2 | 0.0 | 0.000 | 0.918 | (0;000) | ✗ | 02/02/17 |
KClO3 | COD | 2310654 | Pnma (62) | ✔ | 20 | 136 | 1 | 3.1985 | 3.200 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiClO2 | COD | 2014617 | P4_2/ncm (138) | ✔ | 16 | 88 | 1 | 2.6354 | 2.635 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaPd2 | ICSD | 58671 | Fd-3m (227) | ✔ | 6 | 92 | 3 | 0.0 | 0.000 | 0.169 | (0;000) | ✗ | 05/01/17 |
Ba(SbPd)2 | ICSD | 61197 | I4/mmm (139) | ✔ | 5 | 56 | 3 | 0.0 | 0.029 | 0.777 | (0;000) | ✗ | 05/01/17 |
SeCl | ICSD | 37018 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 2.1612 | 2.199 | 0.000 | (0;000) | ✗ | 02/02/17 |
YMoClO4 | COD | 4304780 | C2/m (12) | ✔ | 14 | 112 | 3 | 2.7876 | 3.153 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbMoPClO5 | ICSD | 50989 | P4/nmm (129) | ✔ | 18 | 130 | 2 | 0.0 | 0.000 | 0.927 | (0;000) | ✗ | 02/02/17 |
NaClO3 | COD | 1001127 | P2_1/c (14) | ✔ | 20 | 136 | 1 | 4.8842 | 4.976 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2NiClO3 | ICSD | 237581 | P4/nmm (129) | ✔ | 14 | 110 | 1 | 0.0 | 0.000 | 0.901 | (0;000) | ✗ | 02/02/17 |
NClO6 | ICSD | 25817 | C2/c (15) | ✔ | 16 | 96 | 1 | 2.1258 | 2.155 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiO2 | ICSD | 153453 | P3_1 (144) | ✗ | 9 | 48 | 0 | 5.9943 | 6.284 | 0.000 | (0;000) | ✗ | 06/10/16 |
SNCl | ICSD | 30558 | P2_1/m (11) | ✔ | 18 | 108 | 1 | 2.4393 | 2.446 | 0.000 | (0;000) | ✗ | 02/02/17 |
ReClO3 | ICSD | 416751 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 3.6638 | 3.734 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sb3ClO4 | ICSD | 410039 | P2/c (13) | ✔ | 16 | 92 | 3 | 0.0 | 2.942 | 1.000 | (0;000) | ✗ | 02/02/17 |
Cl2 | COD | 9015583 | P4_2/ncm (138) | ✔ | 16 | 112 | 1 | 0.2095 | 0.551 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hf3(SiCu2)2 | ICSD | 53288 | P-62m (189) | ✗ | 9 | 88 | 3 | 0.0 | 0.019 | 0.311 | (0;000) | ✔ | 05/12/16 |
BaPd5 | ICSD | 58672 | P6/mmm (191) | ✔ | 6 | 100 | 3 | 0.0 | 0.002 | 0.552 | (0;000) | ✗ | 05/01/17 |
Re3Se4Cl | ICSD | 35623 | P-1 (2) | ✔ | 16 | 152 | 3 | 0.9776 | 1.114 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrCN2 | ICSD | 75040 | Pnma (62) | ✔ | 16 | 96 | 1 | 3.7125 | 4.317 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2CS3 | ICSD | 73094 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.1499 | 1.499 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaC | COD | 1521140 | I4_1/acd (142) | ✔ | 16 | 104 | 1 | 3.5905 | 3.703 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaCSN | ICSD | 22273 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.1244 | 4.235 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaCSN | ICSD | 953 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.1824 | 4.311 | 0.000 | (0;000) | ✗ | 02/02/17 |
CN | COD | 2310460 | Pbca (61) | ✔ | 16 | 72 | 1 | 5.2499 | 5.250 | 0.000 | (0;000) | ✗ | 02/02/17 |
Co2CuS4 | COD | 1010946 | Fd-3m (227) | ✔ | 14 | 138 | 3 | 0.0 | 0.000 | 0.789 | (0;000) | ✗ | 02/02/17 |
Co2CuS4 | COD | 9009688 | Fd-3m (227) | ✔ | 14 | 138 | 3 | 0.0 | 0.000 | 0.886 | (0;000) | ✗ | 02/02/17 |
BaPt2 | ICSD | 58675 | Fd-3m (227) | ✔ | 6 | 60 | 3 | 0.0 | 0.023 | 0.386 | (0;000) | ✗ | 05/01/17 |
NiHg4 | ICSD | 151197 | Im-3m (229) | ✔ | 5 | 58 | 3 | 0.0 | 0.120 | 0.417 | (0;000) | ✗ | 27/01/17 |
Hf3Co2Si3 | ICSD | 623796 | Cmcm (63) | ✔ | 16 | 164 | 3 | 0.0 | 0.007 | 0.913 | (0;000) | ✗ | 02/02/17 |
BaPt | COD | 4113101 | P6_3/mmc (194) | ✔ | 4 | 40 | 3 | 0.0 | 0.001 | 0.150 | (0;000) | ✗ | 05/01/17 |
ZnH8(N2Cl)2 | ICSD | 15875 | C2/m (12) | ✔ | 15 | 54 | 2 | 3.8143 | 4.554 | 0.000 | (0;000) | ✗ | 27/01/17 |
C3N4 | ICSD | 246660 | R3m (160) | ✗ | 7 | 32 | 2 | 1.2528 | 1.275 | 0.000 | (0;000) | ✗ | 06/10/16 |
Co2NiS4 | ICSD | 624468 | Fd-3m (227) | ✔ | 14 | 136 | 3 | 0.0 | 0.030 | 0.439 | (0;000) | ✗ | 02/02/17 |
RbCO2 | ICSD | 163587 | Pbam (55) | ✔ | 16 | 100 | 1 | 3.1932 | 3.193 | 0.000 | (0;000) | ✗ | 02/02/17 |