▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PdS | COD | 9013399 | P4_2/m (84) | ✔ | 16 | 192 | 3 | 0.0424 | 0.099 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbS | COD | 9013400 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.0 | 0.122 | 0.020 | (0;000) | ✗ | 27/01/17 |
ZnS | COD | 9013409 | P6_3mc (186) | ✗ | 8 | 72 | 3 | 2.1423 | 2.142 | 0.000 | (0;000) | ✗ | 15/02/17 |
ZnS | COD | 9013410 | R3m (160) | ✗ | 10 | 90 | 3 | 2.1155 | 2.116 | 0.000 | (0;000) | ✗ | 15/02/17 |
Bi2Se3 | COD | 9013424 | Pnma (62) | ✔ | 20 | 192 | 2 | 0.5823 | 0.586 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ag5SbS4 | COD | 9013429 | Cmc2_1 (36) | ✗ | 20 | 168 | 3 | 0.6855 | 0.723 | 0.000 | (0;000) | ✗ | 16/03/17 |
Mn5Si3 | COD | 9013430 | P6_3/mcm (193) | ✔ | 16 | 174 | 3 | 0.0 | 0.000 | 0.949 | (1;000) | ✗ | 27/01/17 |
CsFe2S3 | COD | 9013450 | Cmcm (63) | ✔ | 12 | 86 | 1 | 0.0 | 0.000 | 0.306 | (0;110) | ✗ | 02/02/17 |
RbFe2S3 | COD | 9013452 | Cmcm (63) | ✔ | 12 | 86 | 1 | 0.0 | 0.000 | 0.284 | (0;000) | ✗ | 02/02/17 |
KFe2S3 | COD | 9013453 | Cmcm (63) | ✔ | 12 | 86 | 1 | 0.0 | 0.000 | 0.338 | (0;000) | ✗ | 02/02/17 |
Sb | COD | 9013464 | P6_3/mmc (194) | ✔ | 2 | 10 | 1 | 0.0 | 0.000 | 0.874 | (1;000) | ✗ | 27/01/17 |
BaCa(CO3)2 | COD | 9013465 | P2_1/m (11) | ✔ | 20 | 128 | 1 | 4.8058 | 4.848 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfO2 | COD | 9013470 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 4.1729 | 4.216 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe | COD | 9013476 | Im-3m (229) | ✔ | 1 | 8 | 3 | 0.0 | 0.000 | 0.788 | (0;000) | ✗ | 27/01/17 |
Cu3Au | COD | 9013496 | Pm-3m (221) | ✔ | 4 | 44 | 3 | 0.0 | 0.018 | 0.575 | (0;111) | ✗ | 05/01/17 |
TlFe2S3 | COD | 9013499 | Cmcm (63) | ✔ | 12 | 94 | 1 | 0.0 | 0.000 | 0.351 | (0;000) | ✗ | 02/02/17 |
Fe2AgS3 | COD | 9013697 | P2_1/c (14) | ✔ | 24 | 180 | 3 | 0.0 | 0.034 | 0.198 | (1;000) | ✗ | 04/08/17 |
FePt3 | COD | 9013737 | Pm-3m (221) | ✔ | 4 | 38 | 3 | 0.0 | 0.000 | 0.892 | (0;000) | ✗ | 27/01/17 |
Te2Pd3Pb2 | COD | 9013781 | Pmmn (59) | ✔ | 14 | 188 | 3 | 0.0 | 0.011 | 0.314 | (0;000) | ✗ | 02/02/17 |
FeS2O9 | COD | 9013790 | P-1 (2) | ✔ | 12 | 74 | 2 | 0.0 | 0.041 | 0.500 | (1;000) | ✗ | 04/08/17 |
LiGa(SiO3)2 | COD | 9013865 | C2/c (15) | ✔ | 20 | 120 | 3 | 4.7408 | 4.877 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrClF | COD | 9013892 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.8674 | 5.867 | 0.000 | (0;000) | ✗ | 27/01/17 |
BiAu2 | COD | 9013900 | Fd-3m (227) | ✔ | 6 | 74 | 3 | 0.0 | 0.000 | 0.596 | (0;000) | ✗ | 05/01/17 |
MgWO4 | COD | 9013904 | P2/c (13) | ✔ | 12 | 96 | 3 | 0.0 | 0.014 | 1.000 | (0;100) | ✗ | 28/03/17 |
MnWO4 | COD | 9013910 | P2/c (13) | ✔ | 12 | 134 | 3 | 0.0 | 0.000 | 0.730 | (1;100) | ✗ | 11/04/17 |
CdWO4 | COD | 9013915 | P2/c (13) | ✔ | 12 | 128 | 3 | 3.1821 | 3.229 | 0.000 | (0;000) | ✗ | 11/04/17 |
CuI | COD | 9013921 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.01 | 0.010 | 0.000 | (1;000) | ✗ | 22/03/17 |
CuI | COD | 9013923 | P4/nmm (129) | ✔ | 4 | 36 | 2 | 1.3057 | 1.306 | 0.000 | (0;000) | ✗ | 22/03/17 |
CuCl | COD | 9013927 | Pa3 (205) | ✔ | 16 | 144 | 3 | 0.5672 | 0.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuCl | COD | 9013928 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.5958 | 1.809 | 0.000 | (0;000) | ✗ | 27/01/17 |
CuBr | COD | 9013931 | P4/nmm (129) | ✔ | 4 | 36 | 2 | 0.7515 | 0.752 | 0.000 | (0;000) | ✗ | 27/01/17 |
CuBr | COD | 9013934 | Pa3 (205) | ✔ | 16 | 144 | 3 | 0.2961 | 0.296 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuBr | COD | 9013935 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 1.451 | 0.044 | (0;000) | ✗ | 27/01/17 |
FeNi3 | COD | 9013941 | Pm-3m (221) | ✔ | 4 | 38 | 3 | 0.0 | 0.000 | 0.765 | (0;000) | ✗ | 27/01/17 |
Bi4S3 | COD | 9013958 | R-3m (166) | ✔ | 7 | 78 | 3 | 0.0 | 0.056 | 0.304 | (1;111) | ✗ | 21/03/17 |
CaFe3O5 | COD | 9013959 | Cmcm (63) | ✔ | 18 | 128 | 3 | 0.0 | 0.001 | 0.535 | (0;110) | ✗ | 07/08/17 |
MnSi | COD | 9013972 | P2_13 (198) | ✗ | 8 | 76 | 3 | 0.0 | 0.000 | 0.662 | ? | ✗ | 15/02/17 |
C | COD | 9014004 | P6/mmm (191) | ✔ | 10 | 40 | 3 | 0.5198 | 1.862 | 0.000 | (0;000) | ✗ | 27/01/17 |
W2O7 | COD | 9014038 | Fd-3m (227) | ✔ | 18 | 140 | 3 | 0.0 | 0.000 | 0.848 | (0;000) | ✗ | 02/02/17 |
BeSO8 | COD | 9014047 | I4/mcm (140) | ✔ | 20 | 116 | 1 | 0.0 | 0.002 | 0.475 | (1;000) | ✗ | 02/02/17 |
Ni(N3Cl)2 | COD | 9014070 | Fm-3m (225) | ✔ | 9 | 54 | 1 | 0.0 | 0.001 | 0.367 | (1;000) | ✗ | 02/02/17 |
NaSbO7 | COD | 9014085 | P6_3mc (186) | ✗ | 18 | 112 | 1 | 0.0 | 0.002 | 0.723 | ? | ✗ | 29/03/17 |
NaAl2Sb | COD | 9014095 | P6_3/mmc (194) | ✔ | 8 | 40 | 1 | 0.0 | 0.004 | 0.321 | (0;000) | ✗ | 30/01/17 |
Rb4O3 | COD | 9014100 | I-43d (220) | ✗ | 14 | 108 | 1 | 0.0 | 0.000 | 0.570 | ? | ✗ | 29/03/17 |
Fe | COD | 9014113 | Fm-3m (225) | ✔ | 1 | 8 | 3 | 0.0 | 0.003 | 0.514 | (0;000) | ✗ | 27/01/17 |
Ni(N4O3)2 | COD | 9014131 | Fm-3m (225) | ✔ | 15 | 86 | 1 | 0.0 | 0.000 | 0.860 | (1;000) | ✗ | 04/08/17 |
LiO2 | COD | 9014136 | C2/m (12) | ✔ | 6 | 30 | 1 | 0.0 | 0.004 | 0.735 | (1;110) | ✗ | 27/01/17 |
HgBr | COD | 9014145 | I4/mmm (139) | ✔ | 4 | 38 | 3 | 1.8884 | 2.563 | 0.000 | (0;000) | ✗ | 27/01/17 |
KClO2 | COD | 9014207 | P2_1/m (11) | ✔ | 16 | 112 | 2 | 0.0 | 0.004 | 0.426 | (0;010) | ✗ | 27/01/17 |
H2O2 | COD | 9014214 | P4_12_12 (92) | ✗ | 16 | 56 | 1 | 4.7599 | 4.772 | 0.000 | (0;000) | ✗ | 15/02/17 |
PbSeO4 | COD | 9014223 | P2_1/c (14) | ✔ | 24 | 176 | 3 | 3.3853 | 3.505 | 0.000 | (0;000) | ✗ | 04/08/17 |
N2 | COD | 9014232 | Pmna (53) | ✔ | 16 | 80 | 1 | 0.0 | 0.002 | 0.369 | (1;100) | ✗ | 02/02/17 |
Fe4O5 | COD | 9014243 | Cmcm (63) | ✔ | 18 | 124 | 3 | 0.0 | 0.006 | 0.896 | (1;000) | ✗ | 22/03/17 |
As2O3 | COD | 9014252 | P2_1/c (14) | ✔ | 20 | 112 | 2 | 3.969 | 4.192 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ta2O7 | COD | 9014281 | Fd-3m (227) | ✔ | 18 | 136 | 3 | 0.0 | 0.000 | 0.488 | (0;000) | ✗ | 02/02/17 |
Pt(NCl)2 | COD | 9014307 | P4/m (83) | ✔ | 10 | 68 | 3 | 0.0 | 0.009 | 0.422 | (1;000) | ✗ | 02/02/17 |
TiNi | COD | 9014315 | P-3 (147) | ✔ | 18 | 198 | 3 | 0.0 | 0.002 | 0.890 | (1;001) | ✗ | 29/03/17 |
SrSeO4 | COD | 9014342 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 4.1668 | 4.182 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li2SO5 | COD | 9014347 | P2_1 (4) | ✗ | 16 | 84 | 1 | 0.0 | 0.003 | 0.343 | (0;100) | ✔ | 11/04/17 |
Ca3V2O8 | COD | 9014364 | C2/m (12) | ✔ | 13 | 104 | 1 | 3.4615 | 3.672 | 0.000 | (0;000) | ✗ | 27/01/17 |
S | COD | 9014401 | P3_221 (154) | ✗ | 9 | 54 | 1 | 1.6752 | 1.727 | 0.000 | (0;000) | ✗ | 15/02/17 |
NCl | COD | 9014419 | Pa3 (205) | ✔ | 16 | 96 | 1 | 0.0 | 0.005 | 0.742 | (1;000) | ✗ | 02/02/17 |
Rb2PtS6 | COD | 9014424 | P-3m1 (164) | ✔ | 9 | 64 | 1 | 0.0749 | 0.078 | 0.000 | (1;000) | ✗ | 02/02/17 |
HgI2 | COD | 9014434 | P4_2/nmc (137) | ✔ | 6 | 52 | 2 | 0.8955 | 0.896 | 0.000 | (0;000) | ✗ | 02/02/17 |
W3O10 | COD | 9014468 | Fmm2 (42) | ✗ | 13 | 144 | 3 | 0.0 | 0.002 | 0.261 | (0;010) | ✔ | 24/04/17 |
SnPbO3 | COD | 9014470 | Fd-3m (227) | ✔ | 20 | 184 | 3 | 0.0 | 0.014 | 0.202 | (0;000) | ✗ | 02/02/17 |
Sr(AsO4)2 | COD | 9014488 | P-1 (2) | ✔ | 22 | 136 | 1 | 0.0 | 0.006 | 0.500 | (1;000) | ✗ | 04/08/17 |
Fe2Si | COD | 9014528 | P-3m1 (164) | ✔ | 6 | 40 | 3 | 0.0 | 0.006 | 0.517 | (1;001) | ✗ | 27/01/17 |
CdNCl3 | COD | 9014544 | Pnma (62) | ✔ | 20 | 152 | 2 | 0.0 | 0.005 | 0.361 | (0;000) | ✗ | 02/02/17 |
AlO2 | COD | 9014565 | Pnma (62) | ✔ | 12 | 60 | 3 | 0.0 | 0.000 | 0.538 | (1;011) | ✗ | 05/01/17 |
NbSe2 | COD | 9014575 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.905 | (0;000) | ✗ | 27/01/17 |
Fe2C | COD | 9014589 | Pnma (62) | ✔ | 24 | 160 | 3 | 0.0 | 0.010 | 0.343 | (0;000) | ✗ | 04/08/17 |
FeSi2 | COD | 9014640 | P4/mmm (123) | ✔ | 3 | 16 | 3 | 0.0 | 0.030 | 0.052 | (0;001) | ✗ | 27/01/17 |
Cs4O3 | COD | 9014646 | I-43d (220) | ✗ | 14 | 108 | 1 | 0.0 | 0.000 | 0.385 | ? | ✗ | 07/08/17 |
K2PtS6 | COD | 9014681 | P-3m1 (164) | ✔ | 9 | 64 | 1 | 0.0611 | 0.079 | 0.000 | (1;000) | ✗ | 02/02/17 |
VBiO4 | COD | 9014682 | Pbcn (60) | ✔ | 24 | 208 | 3 | 2.3177 | 2.414 | 0.000 | (0;000) | ✗ | 04/08/17 |
Mg(ClO3)2 | COD | 9014683 | C2/m (12) | ✔ | 9 | 60 | 1 | 0.0 | 0.007 | 0.584 | (0;000) | ✗ | 02/02/17 |
Al(NF2)3 | COD | 9014698 | F-43m (216) | ✗ | 10 | 60 | 1 | 0.0 | 0.000 | 0.714 | ? | ✗ | 15/02/17 |
SbO3 | COD | 9014718 | P2_1/c (14) | ✔ | 16 | 92 | 3 | 0.0 | 0.015 | 0.301 | (1;000) | ✗ | 02/02/17 |
Cd(N2O3)2 | COD | 9014750 | Pm3 (200) | ✔ | 11 | 68 | 3 | 0.0 | 0.007 | 0.558 | (0;111) | ✗ | 27/01/17 |
V(NF2)3 | COD | 9014754 | Fm-3m (225) | ✔ | 10 | 70 | 1 | 0.0 | 0.003 | 0.251 | (0;000) | ✗ | 27/01/17 |
MnTe2 | COD | 9014758 | Pa3 (205) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.754 | (0;111) | ✗ | 02/02/17 |
PbS | COD | 9014778 | Pnma (62) | ✔ | 8 | 80 | 1 | 0.0 | 0.333 | 0.027 | (0;000) | ✗ | 02/02/17 |
I3N | COD | 9014796 | Pnma (62) | ✔ | 16 | 104 | 1 | 0.0 | 0.005 | 0.530 | (0;000) | ✗ | 02/02/17 |
Ni3Sn | COD | 9014799 | Pm-3m (221) | ✔ | 4 | 44 | 3 | 0.0 | 0.067 | 0.308 | (0;111) | ✗ | 27/01/17 |
Be(HO)2 | COD | 9014803 | P2_12_12_1 (19) | ✗ | 20 | 72 | 1 | 5.5045 | 5.505 | 0.000 | (0;000) | ✗ | 15/02/17 |
CS2 | COD | 9014813 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 0.2875 | 0.641 | 0.000 | (0;000) | ✔ | 11/04/17 |
IN | COD | 9014835 | Fm-3m (225) | ✔ | 2 | 12 | 1 | 0.0 | 0.034 | 0.639 | (0;000) | ✗ | 30/01/17 |
AlNCl4 | COD | 9014852 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.0 | 0.003 | 0.198 | (0;000) | ✗ | 04/08/17 |
CO2 | COD | 9014868 | P3_221 (154) | ✗ | 9 | 48 | 3 | 6.8671 | 7.441 | 0.000 | (0;000) | ✗ | 15/02/17 |
V2O3 | COD | 9014893 | R-3c (167) | ✔ | 10 | 88 | 3 | 0.0 | 0.006 | 0.299 | (1;000) | ✗ | 27/01/17 |
V2Cu2O7 | COD | 9014910 | C2/c (15) | ✔ | 22 | 180 | 3 | 0.0 | 0.012 | 0.274 | (0;110) | ✗ | 07/08/17 |
MnV2O4 | COD | 9014940 | Fd-3m (227) | ✔ | 14 | 130 | 3 | 0.0 | 0.000 | 0.621 | (0;000) | ✗ | 27/01/17 |
NiP | COD | 9014942 | Pbca (61) | ✔ | 16 | 120 | 3 | 0.0 | 0.061 | 0.180 | (0;000) | ✗ | 02/02/17 |
FeCl2 | COD | 9014952 | R-3m (166) | ✔ | 3 | 22 | 2 | 0.4967 | 0.504 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cd(AsO4)4 | COD | 9014972 | P-1 (2) | ✔ | 21 | 128 | 2 | 0.0 | 0.005 | 0.517 | (0;100) | ✗ | 04/08/17 |
MoO3 | COD | 9014987 | Pnma (62) | ✔ | 16 | 128 | 2 | 2.2396 | 3.008 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cu(ClO)2 | COD | 9014996 | Pmna (53) | ✔ | 10 | 74 | 2 | 0.0 | 0.000 | 0.938 | (0;000) | ✗ | 02/02/17 |
Ru(N3Cl)2 | COD | 9014997 | Fm-3m (225) | ✔ | 9 | 60 | 1 | 0.0 | 0.001 | 0.452 | (0;000) | ✗ | 02/02/17 |
Ag3SbS3 | COD | 9015009 | R3c (161) | ✗ | 14 | 112 | 3 | 0.923 | 1.494 | 0.000 | (0;000) | ✗ | 16/03/17 |