▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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 |
Sc5NCl8 | ICSD | 60856 | C2/m (12) | ✔ | 14 | 116 | 3 | 0.0 | 0.006 | 0.132 | (0;110) | ✗ | 02/02/17 |
Nb2Tl5S4Cl9 | ICSD | 417942 | Immm (71) | ✔ | 20 | 178 | 1 | 1.5376 | 1.546 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2CoClO3 | ICSD | 91750 | P4/nmm (129) | ✔ | 14 | 124 | 1 | 0.0 | 0.018 | 0.197 | (0;001) | ✗ | 02/02/17 |
Be12Pd | ICSD | 109314 | I4/mmm (139) | ✔ | 13 | 66 | 1 | 0.0 | 0.002 | 0.476 | (1;000) | ✗ | 05/01/17 |
CuHgSCl | ICSD | 98872 | Pmma (51) | ✔ | 16 | 144 | 2 | 1.3992 | 1.571 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuHClO | ICSD | 38384 | P2_1/c (14) | ✔ | 16 | 100 | 2 | 0.0 | 0.014 | 0.317 | (1;000) | ✗ | 02/02/17 |
CuHClO | ICSD | 91088 | P2_1/c (14) | ✔ | 16 | 100 | 2 | 0.0 | 0.030 | 0.337 | (0;001) | ✗ | 02/02/17 |
Sc6FeSb2 | ICSD | 96247 | P-62m (189) | ✗ | 9 | 84 | 3 | 0.0 | 0.000 | 0.655 | ? | ✗ | 06/10/16 |
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 |
Be12Pt | ICSD | 109315 | I4/mmm (139) | ✔ | 13 | 58 | 1 | 0.0 | 0.029 | 0.440 | (1;000) | ✗ | 05/01/17 |
ReNClF5 | ICSD | 33542 | P2_1/m (11) | ✔ | 16 | 124 | 1 | 1.9084 | 1.916 | 0.000 | (0;000) | ✗ | 02/02/17 |
RuCl(OF3)2 | ICSD | 63686 | P2/c (13) | ✔ | 20 | 154 | 1 | 0.0 | 0.000 | 0.978 | (1;010) | ✗ | 02/02/17 |
TiBe12 | ICSD | 58745 | P6/mmm (191) | ✔ | 13 | 60 | 1 | 0.0 | 0.000 | 0.624 | (0;000) | ✗ | 05/01/17 |
SiO2 | ICSD | 170513 | R3 (146) | ✗ | 9 | 48 | 0 | 5.7129 | 5.713 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiFeMoClO4 | ICSD | 65346 | P2_1/m (11) | ✔ | 16 | 112 | 3 | 0.0 | 0.033 | 0.657 | (1;000) | ✗ | 02/02/17 |
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 |
NbI5 | ICSD | 10457 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.0 | 0.048 | 0.113 | (0;111) | ✗ | 06/10/16 |
Y6FeSb2 | ICSD | 96248 | P-62m (189) | ✗ | 9 | 84 | 3 | 0.0 | 0.000 | 0.526 | ? | ✗ | 06/10/16 |
TiBe12 | ICSD | 616454 | I4/mmm (139) | ✔ | 13 | 60 | 1 | 0.0 | 0.002 | 0.588 | (1;111) | ✗ | 05/01/17 |
Be12W | ICSD | 109316 | I4/mmm (139) | ✔ | 13 | 62 | 1 | 0.0 | 0.036 | 0.476 | (1;000) | ✗ | 05/01/17 |
Zr6FeSb2 | ICSD | 156949 | P-62m (189) | ✗ | 9 | 42 | 3 | 0.0 | 0.000 | 0.919 | ? | ✗ | 06/10/16 |
Hf2Be17 | ICSD | 616280 | R-3m (166) | ✔ | 19 | 92 | 1 | 0.0 | 0.008 | 0.511 | (1;000) | ✗ | 05/01/17 |
Hg2P3Cl | ICSD | 74771 | C2/c (15) | ✔ | 12 | 92 | 3 | 1.102 | 1.651 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgSNCl | ICSD | 20269 | Pnma (62) | ✔ | 16 | 120 | 1 | 0.0 | 0.005 | 0.387 | (1;000) | ✗ | 02/02/17 |
Be17Nb2 | ICSD | 58724 | R-3m (166) | ✔ | 19 | 94 | 1 | 0.0 | 0.033 | 0.637 | (1;000) | ✗ | 05/01/17 |
ICl | ICSD | 23886 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 1.283 | 1.441 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2In | ICSD | 51961 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.804 | (1;110) | ✗ | 27/01/17 |
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 |
Sc6FeTe2 | ICSD | 90081 | P-62m (189) | ✗ | 9 | 86 | 3 | 0.0 | 0.000 | 0.534 | ? | ✗ | 06/10/16 |
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 |
KMnCl | ICSD | 173938 | Imma (74) | ✔ | 6 | 62 | 1 | 0.0 | 0.001 | 0.755 | (1;101) | ✗ | 02/02/17 |
KMoPClO5 | ICSD | 50988 | P4/nmm (129) | ✔ | 18 | 130 | 2 | 0.0 | 0.000 | 0.918 | (0;000) | ✗ | 02/02/17 |
Ta2Be17 | ICSD | 616430 | R-3m (166) | ✔ | 19 | 94 | 1 | 0.0 | 0.075 | 0.627 | (1;000) | ✗ | 05/01/17 |
Ti2Be17 | ICSD | 109217 | R-3m (166) | ✔ | 19 | 92 | 1 | 0.0 | 0.000 | 0.521 | (1;000) | ✗ | 05/01/17 |
Sr2MnClO3 | ICSD | 94745 | P4/nmm (129) | ✔ | 14 | 120 | 1 | 0.0 | 0.003 | 0.963 | (0;001) | ✗ | 02/02/17 |
MnSbS2Cl | ICSD | 151925 | Pnma (62) | ✔ | 20 | 156 | 3 | 0.0 | 0.001 | 0.373 | (1;011) | ✗ | 02/02/17 |
SeCl | ICSD | 37018 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 2.1612 | 2.199 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zr6FeTe2 | ICSD | 82530 | P-62m (189) | ✗ | 9 | 44 | 3 | 0.0 | 0.000 | 0.846 | (0;100) | ✔ | 06/10/16 |
RbMoPClO5 | ICSD | 50989 | P4/nmm (129) | ✔ | 18 | 130 | 2 | 0.0 | 0.000 | 0.927 | (0;000) | ✗ | 02/02/17 |
Zr2Be17 | ICSD | 616514 | R-3m (166) | ✔ | 19 | 76 | 1 | 0.0 | 0.001 | 0.511 | (1;000) | ✗ | 05/01/17 |
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 |
Ca(BeGe)2 | ICSD | 25337 | P4/nmm (129) | ✔ | 10 | 52 | 1 | 0.0 | 0.012 | 0.450 | (1;000) | ✗ | 05/01/17 |
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 |
BeAu | ICSD | 58396 | P2_13 (198) | ✗ | 8 | 60 | 3 | 0.0 | 0.000 | 0.475 | (1;111) | ✔ | 06/10/16 |
C3N4 | ICSD | 83264 | P-43m (215) | ✗ | 7 | 32 | 3 | 2.5786 | 2.579 | 0.000 | (0;000) | ✗ | 06/10/16 |
SiO2 | ICSD | 413210 | Cc (9) | ✗ | 12 | 64 | 3 | 5.8723 | 5.872 | 0.000 | (0;000) | ✗ | 06/10/16 |
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 |
InS | ICSD | 15931 | Pnnm (58) | ✔ | 8 | 76 | 3 | 0.6548 | 1.429 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaCSN | ICSD | 22273 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.1244 | 4.235 | 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 |
K6Fe2O5 | ICSD | 174312 | Cm (8) | ✗ | 13 | 100 | 1 | 0.0152 | 0.035 | 0.000 | (0;100) | ✔ | 05/12/16 |
NaCSN | ICSD | 953 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.1824 | 4.311 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca(BeN)2 | ICSD | 413357 | I4/mcm (140) | ✔ | 10 | 56 | 1 | 2.5333 | 2.668 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca(BeP)2 | ICSD | 616191 | P-3m1 (164) | ✔ | 5 | 28 | 1 | 0.8415 | 1.509 | 0.000 | (0;000) | ✗ | 05/01/17 |
Fe2P2O7 | ICSD | 17062 | P1 (1) | ✗ | 11 | 68 | 3 | 0.178 | 0.178 | 0.000 | (0;000) | ✔ | 06/10/16 |
NaCo2Mo2H3O10 | ICSD | 422475 | C2/m (12) | ✔ | 18 | 134 | 3 | 0.0 | 0.004 | 0.622 | (0;001) | ✗ | 02/02/17 |
Hf3Co2Si3 | ICSD | 623796 | Cmcm (63) | ✔ | 16 | 164 | 3 | 0.0 | 0.007 | 0.913 | (0;000) | ✗ | 02/02/17 |
Be2Cr | ICSD | 616224 | P6_3/mmc (194) | ✔ | 12 | 88 | 3 | 0.0 | 0.005 | 0.232 | (1;000) | ✗ | 05/01/17 |
RbNa7(CoO3)2 | ICSD | 66006 | C2/m (12) | ✔ | 16 | 142 | 1 | 0.0 | 0.013 | 0.132 | (0;001) | ✗ | 02/02/17 |
NbCo2Sn | ICSD | 190616 | Pmma (51) | ✔ | 16 | 244 | 3 | 0.0 | 0.002 | 0.708 | (0;100) | ✗ | 02/02/17 |
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 |
Sc3Co2Si3 | ICSD | 41745 | Cmcm (63) | ✔ | 16 | 158 | 3 | 0.0 | 0.000 | 0.898 | (1;000) | ✗ | 02/02/17 |
Zr3Co2Si3 | ICSD | 625141 | Cmcm (63) | ✔ | 16 | 116 | 3 | 0.0 | 0.010 | 0.916 | (0;000) | ✗ | 02/02/17 |
Be2Cu | ICSD | 616247 | Fd-3m (227) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.436 | (0;000) | ✗ | 05/01/17 |
InSb | ICSD | 156995 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.0 | 0.022 | 0.498 | (0;000) | ✗ | 06/10/16 |
FePSe3 | ICSD | 16246 | R3 (146) | ✗ | 10 | 62 | 2 | 0.1664 | 0.212 | 0.000 | (0;000) | ✔ | 06/10/16 |
Y2Co3Ge5 | ICSD | 623668 | C2/c (15) | ✔ | 20 | 186 | 3 | 0.0 | 0.000 | 0.574 | (0;101) | ✗ | 02/02/17 |
K2Be2PbF8 | ICSD | 9902 | R-3m (166) | ✔ | 13 | 96 | 1 | 4.8662 | 4.960 | 0.000 | (0;000) | ✗ | 05/01/17 |
Rb2Co3S4 | ICSD | 624797 | Ibam (72) | ✔ | 18 | 186 | 2 | 0.0 | 0.000 | 0.976 | (1;111) | ✗ | 02/02/17 |
K2SrBe2F8 | ICSD | 109005 | R-3m (166) | ✔ | 13 | 92 | 1 | 7.2462 | 7.347 | 0.000 | (0;000) | ✗ | 05/01/17 |
Co3Se4 | ICSD | 42538 | Fd-3m (227) | ✔ | 14 | 150 | 3 | 0.0 | 0.000 | 0.329 | (0;000) | ✗ | 02/02/17 |
Y2Co3Si5 | ICSD | 60757 | Ibam (72) | ✔ | 20 | 186 | 3 | 0.0 | 0.001 | 0.662 | (0;000) | ✗ | 02/02/17 |
Co3Sn2 | ICSD | 625259 | Pnma (62) | ✔ | 20 | 316 | 3 | 0.0 | 0.000 | 0.520 | (1;011) | ✗ | 02/02/17 |
AlPO4 | ICSD | 159273 | P2/m (10) | ✔ | 6 | 32 | 3 | 4.6119 | 4.623 | 0.000 | (0;000) | ✗ | 05/01/17 |
Co4SnSb12 | ICSD | 87886 | Im3 (204) | ✔ | 17 | 142 | 3 | 0.0 | 0.000 | 0.669 | (1;000) | ✗ | 02/02/17 |
Fe(CoS)8 | ICSD | 622969 | Fm-3m (225) | ✔ | 17 | 192 | 3 | 0.0 | 0.000 | 0.689 | (1;000) | ✗ | 02/02/17 |
Co8NiS8 | ICSD | 624466 | Fm-3m (225) | ✔ | 17 | 194 | 3 | 0.0 | 0.000 | 0.982 | (1;000) | ✗ | 02/02/17 |
Co8PdS8 | ICSD | 624682 | Fm-3m (225) | ✔ | 17 | 202 | 3 | 0.0 | 0.000 | 0.982 | (1;000) | ✗ | 02/02/17 |
Co8RuS8 | ICSD | 624822 | Fm-3m (225) | ✔ | 17 | 200 | 3 | 0.0 | 0.017 | 0.699 | (1;000) | ✗ | 02/02/17 |
Mg(BeP)2 | ICSD | 616328 | P-3m1 (164) | ✔ | 5 | 28 | 1 | 0.5227 | 2.649 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs2NaCoF6 | ICSD | 42157 | R-3m (166) | ✔ | 20 | 172 | 2 | 0.666 | 0.668 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2CoS2 | ICSD | 67389 | Ibam (72) | ✔ | 10 | 94 | 1 | 0.0 | 0.000 | 0.195 | (0;000) | ✗ | 02/02/17 |
Cs2CoSe2 | ICSD | 67392 | Ibam (72) | ✔ | 10 | 94 | 1 | 0.0 | 0.000 | 0.185 | (0;000) | ✗ | 02/02/17 |
CsCoO2 | ICSD | 424937 | Cmce (64) | ✔ | 16 | 152 | 3 | 0.0 | 0.008 | 0.657 | (0;110) | ✗ | 02/02/17 |
NaCoF3 | ICSD | 4404 | Pnma (62) | ✔ | 20 | 188 | 3 | 0.0 | 0.000 | 0.497 | (0;110) | ✗ | 02/02/17 |