▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Fe2B | ICSD | 30446 | I4/mcm (140) | ✔ | 6 | 38 | 3 | 0.0 | 0.001 | 0.527 | (1;000) | ✗ | 06/10/16 |
HgH2NCl | ICSD | 92480 | Pmma (51) | ✔ | 10 | 52 | 2 | 2.5214 | 2.604 | 0.000 | (0;000) | ✗ | 27/01/17 |
HCl | COD | 9015375 | Fm-3m (225) | ✔ | 2 | 8 | 1 | 0.0 | 0.000 | 0.102 | (1;000) | ✗ | 27/01/17 |
HgCl | COD | 9016588 | I4/mmm (139) | ✔ | 4 | 38 | 3 | 1.4848 | 2.394 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnAl | ICSD | 608581 | Pm-3m (221) | ✔ | 2 | 18 | 3 | 0.0 | 0.001 | 0.693 | (1;111) | ✗ | 05/01/17 |
InClO | ICSD | 24058 | Pmmn (59) | ✔ | 6 | 52 | 2 | 2.552 | 2.827 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrHCl | COD | 9009183 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 4.0353 | 4.068 | 0.000 | (0;000) | ✗ | 27/01/17 |
BI3 | ICSD | 173375 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 2.4262 | 2.516 | 0.000 | (0;000) | ✗ | 06/10/16 |
ScHCl | ICSD | 40981 | R-3m (166) | ✔ | 6 | 38 | 2 | 0.0 | 0.011 | 0.232 | (0;111) | ✗ | 27/01/17 |
Li2CO3 | COD | 2310703 | C2/c (15) | ✔ | 12 | 56 | 1 | 5.282 | 5.417 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2CN2 | COD | 4031435 | I4/mmm (139) | ✔ | 5 | 20 | 1 | 3.7439 | 3.744 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2CO3 | COD | 1531432 | P6_3/mcm (193) | ✔ | 12 | 56 | 1 | 3.5493 | 4.009 | 0.000 | (0;000) | ✗ | 27/01/17 |
YClO | COD | 9009190 | P4/nmm (129) | ✔ | 6 | 48 | 3 | 4.19 | 4.190 | 0.000 | (0;000) | ✗ | 27/01/17 |
NCl | COD | 9007494 | Pm-3m (221) | ✔ | 2 | 12 | 1 | 0.0 | 0.011 | 0.693 | (0;000) | ✗ | 27/01/17 |
KCl | COD | 9003138 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.12 | 5.120 | 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 |
LiB | ICSD | 236961 | Pbmm (51) | ✔ | 8 | 24 | 2 | 0.0 | 0.004 | 0.395 | (0;001) | ✗ | 06/10/16 |
KClO2 | COD | 2014618 | Cmcm (63) | ✔ | 8 | 56 | 1 | 2.279 | 3.000 | 0.000 | (0;000) | ✗ | 27/01/17 |
KCl | COD | 1000050 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 5.5772 | 5.766 | 0.000 | (0;000) | ✗ | 27/01/17 |
KClO3 | ICSD | 26409 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 5.6268 | 5.635 | 0.000 | (0;000) | ✗ | 27/01/17 |
KClO3 | COD | 1010217 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 1.326 | 1.347 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaCl | COD | 9006385 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 4.7748 | 4.775 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiTiNCl | ICSD | 261526 | Pmmn (59) | ✔ | 8 | 54 | 2 | 0.0 | 0.000 | 0.845 | (0;000) | ✗ | 27/01/17 |
BMo | ICSD | 191907 | Cmcm (63) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.777 | (0;110) | ✗ | 06/10/16 |
Li4NCl | ICSD | 84649 | R-3m (166) | ✔ | 6 | 24 | 1 | 1.8222 | 1.875 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaClO4 | COD | 1010214 | Cmcm (63) | ✔ | 12 | 80 | 1 | 3.4632 | 3.634 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na3ClO | COD | 9007768 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 2.1182 | 2.118 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaClO2 | ICSD | 22 | C2/c (15) | ✔ | 8 | 56 | 1 | 2.5433 | 2.543 | 0.000 | (0;000) | ✗ | 27/01/17 |
VClO | COD | 2106692 | Pmmn (59) | ✔ | 6 | 52 | 2 | 0.0 | 0.002 | 0.323 | (1;001) | ✗ | 27/01/17 |
SbPbClO2 | COD | 9010005 | Cmcm (63) | ✔ | 10 | 76 | 1 | 0.0 | 1.773 | 1.000 | (0;000) | ✗ | 27/01/17 |
TiNCl | ICSD | 261525 | Pmmn (59) | ✔ | 6 | 48 | 2 | 0.6554 | 0.655 | 0.000 | (0;000) | ✗ | 27/01/17 |
BN | ICSD | 162876 | Pmnb (62) | ✔ | 8 | 32 | 3 | 5.9754 | 6.508 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr2NCl | COD | 1528370 | R-3m (166) | ✔ | 4 | 32 | 1 | 1.8349 | 1.835 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrNCl | COD | 1521250 | R-3m (166) | ✔ | 6 | 32 | 2 | 1.1497 | 1.792 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe3Se4 | ICSD | 15043 | C2/m (12) | ✔ | 7 | 48 | 3 | 0.0 | 0.011 | 0.357 | (0;000) | ✔ | 06/10/16 |
BiAsO4 | ICSD | 30636 | I4_1/a (88) | ✔ | 12 | 88 | 3 | 2.5964 | 2.603 | 0.000 | (0;000) | ✗ | 29/11/16 |
TiClO | ICSD | 155833 | Pmmn (59) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.885 | (0;001) | ✗ | 27/01/17 |
RbClO2 | ICSD | 162802 | Cmcm (63) | ✔ | 8 | 56 | 1 | 2.3666 | 2.928 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbB | ICSD | 191899 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.026 | 0.365 | (1;000) | ✗ | 06/10/16 |
LiBiF4 | ICSD | 65404 | I4_1/a (88) | ✔ | 12 | 92 | 3 | 4.0319 | 4.162 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cl2 | COD | 9013120 | Cmce (64) | ✔ | 4 | 28 | 1 | 2.5394 | 2.567 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrGeO4 | ICSD | 29262 | I4_1/a (88) | ✔ | 12 | 64 | 3 | 3.8336 | 4.048 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cl2 | COD | 1512500 | Cmce (64) | ✔ | 4 | 28 | 1 | 2.3148 | 2.315 | 0.000 | (0;000) | ✗ | 27/01/17 |
C | COD | 9012231 | Cmme (67) | ✔ | 8 | 32 | 2 | 0.0 | 0.009 | 0.643 | (0;001) | ✗ | 27/01/17 |
Co2SiO4 | ICSD | 859 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.0 | 0.008 | 0.939 | (0;000) | ✗ | 27/01/17 |
MnGaCo2 | ICSD | 623116 | Fm-3m (225) | ✔ | 4 | 62 | 3 | 0.0 | 0.004 | 0.260 | (0;000) | ✗ | 27/01/17 |
Na2CO3 | COD | 9011304 | C2/m (12) | ✔ | 12 | 80 | 1 | 3.9041 | 3.923 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnCO3 | COD | 9007691 | R-3c (167) | ✔ | 10 | 74 | 3 | 0.0 | 0.001 | 0.699 | (0;000) | ✗ | 27/01/17 |
YCl | ICSD | 30708 | R-3m (166) | ✔ | 4 | 36 | 2 | 0.0 | 0.026 | 0.395 | (0;000) | ✗ | 27/01/17 |
ScCl | COD | 4343683 | R-3m (166) | ✔ | 4 | 36 | 2 | 0.0 | 0.004 | 0.709 | (0;000) | ✗ | 27/01/17 |
NiB | ICSD | 26937 | Ccmm (63) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.399 | (0;110) | ✗ | 06/10/16 |
TeRhCl | ICSD | 56853 | C2/m (12) | ✔ | 6 | 60 | 2 | 0.7288 | 0.732 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlCl | COD | 9008794 | Pm-3m (221) | ✔ | 2 | 20 | 1 | 1.6046 | 1.903 | 0.000 | (0;000) | ✗ | 27/01/17 |
MoP4 | ICSD | 105057 | C2/c (15) | ✔ | 10 | 68 | 2 | 0.0 | 0.019 | 0.126 | (1;000) | ✔ | 04/10/16 |
TlCl | ICSD | 61518 | Fm-3m (225) | ✔ | 2 | 20 | 1 | 1.994 | 1.994 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnCO3 | COD | 1011228 | R-3c (167) | ✔ | 10 | 74 | 3 | 0.0 | 0.000 | 0.716 | (0;000) | ✗ | 27/01/17 |
MgCN2 | ICSD | 75039 | R-3m (166) | ✔ | 4 | 24 | 3 | 3.6366 | 4.688 | 0.000 | (0;000) | ✗ | 27/01/17 |
BPd2 | ICSD | 10487 | Pmnn (58) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.880 | (0;101) | ✗ | 06/10/16 |
Mg3ZnC | ICSD | 44855 | Pm-3m (221) | ✔ | 5 | 46 | 3 | 0.0 | 0.000 | 0.764 | (1;000) | ✗ | 27/01/17 |
MgCO6 | COD | 5910029 | R-3m (166) | ✔ | 8 | 50 | 3 | 0.0 | 0.017 | 0.392 | (0;000) | ✗ | 27/01/17 |
MgNi3C | COD | 1100063 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.0 | 0.000 | 0.724 | (1;111) | ✗ | 27/01/17 |
MgCO3 | COD | 9001853 | R-3c (167) | ✔ | 10 | 64 | 3 | 5.1187 | 5.693 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2CO3 | ICSD | 81004 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 2.6517 | 2.652 | 0.000 | (0;000) | ✗ | 27/01/17 |
Y2C(NO)2 | ICSD | 245332 | P-3m1 (164) | ✔ | 7 | 48 | 3 | 4.0052 | 4.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mo2C | ICSD | 246146 | Pbcn (60) | ✔ | 12 | 128 | 3 | 0.0 | 0.031 | 0.368 | (1;000) | ✗ | 27/01/17 |
Re3B | ICSD | 191913 | Cmcm (63) | ✔ | 8 | 96 | 3 | 0.0 | 0.022 | 0.653 | (1;000) | ✗ | 06/10/16 |
NaAlO2 | ICSD | 22216 | R-3m (166) | ✔ | 4 | 24 | 2 | 4.9533 | 5.037 | 0.000 | (0;000) | ✗ | 05/01/17 |
NiCN2 | COD | 4307549 | P6_3/mmc (194) | ✔ | 8 | 48 | 3 | 0.0 | 0.035 | 0.177 | (0;000) | ✗ | 27/01/17 |
MoC | ICSD | 618298 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.0 | 0.002 | 0.503 | (1;000) | ✗ | 27/01/17 |
Na2CN2 | ICSD | 411341 | C2/m (12) | ✔ | 5 | 32 | 1 | 3.074 | 3.258 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrCN2 | COD | 2204347 | R-3m (166) | ✔ | 4 | 24 | 1 | 3.2298 | 4.229 | 0.000 | (0;000) | ✗ | 27/01/17 |
BRh | ICSD | 150732 | Cmcm (63) | ✔ | 4 | 40 | 3 | 0.0 | 0.061 | 0.223 | (1;000) | ✗ | 27/01/17 |
AgF | COD | 9008598 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.869 | 0.118 | (0;000) | ✗ | 05/01/17 |
GaAg | COD | 1509342 | Pm-3m (221) | ✔ | 2 | 24 | 3 | 0.0 | 0.101 | 0.607 | (0;111) | ✗ | 05/01/17 |
Y2C(NO)2 | ICSD | 245333 | P6_3/mmc (194) | ✔ | 14 | 96 | 3 | 2.8762 | 3.111 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiAg | COD | 9008815 | Pm-3m (221) | ✔ | 2 | 14 | 3 | 0.0 | 0.195 | 0.497 | (0;111) | ✗ | 05/01/17 |
Ag | COD | 1509145 | P6_3/mmc (194) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.772 | (0;000) | ✗ | 05/01/17 |
Co2CuGe2 | ICSD | 62856 | Pmma (51) | ✔ | 10 | 106 | 3 | 0.0 | 0.000 | 0.865 | (1;000) | ✗ | 27/01/17 |
Nb2CS2 | COD | 1532142 | P-3m1 (164) | ✔ | 5 | 42 | 2 | 0.0 | 0.034 | 0.307 | (1;001) | ✗ | 27/01/17 |
Nb2C | ICSD | 31973 | Pnma (62) | ✔ | 12 | 120 | 3 | 0.0 | 0.087 | 0.260 | (1;000) | ✗ | 02/02/17 |
TaB | ICSD | 186194 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.055 | 0.360 | (1;000) | ✗ | 06/10/16 |
ScAg | COD | 1509537 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.602 | (0;111) | ✗ | 05/01/17 |
Al2O | ICSD | 28919 | Fm-3m (225) | ✔ | 3 | 12 | 3 | 0.0 | 0.005 | 0.231 | (0;000) | ✗ | 05/01/17 |
NaCO2 | COD | 8103690 | P2_1/c (14) | ✔ | 16 | 100 | 1 | 2.5411 | 2.613 | 0.000 | (0;000) | ✗ | 27/01/17 |
Al2Ru | ICSD | 609234 | I4/mmm (139) | ✔ | 3 | 22 | 3 | 0.0 | 0.028 | 0.615 | (0;000) | ✗ | 05/01/17 |
AlAu | ICSD | 57495 | Pm-3m (221) | ✔ | 2 | 14 | 3 | 0.0 | 0.006 | 0.526 | (0;111) | ✗ | 05/01/17 |
Nb2PC | ICSD | 43009 | P6_3/mmc (194) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.780 | (1;000) | ✗ | 27/01/17 |
TiB | ICSD | 189386 | Pmnb (62) | ✔ | 8 | 60 | 3 | 0.0 | 0.000 | 0.817 | (0;011) | ✗ | 06/10/16 |
AlCo | ICSD | 187973 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 0.0 | 0.027 | 0.322 | (0;000) | ✗ | 05/01/17 |
AlIr | ICSD | 608241 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 0.0 | 0.099 | 0.273 | (0;000) | ✗ | 05/01/17 |
Nb2C | ICSD | 43670 | P-3m1 (164) | ✔ | 3 | 30 | 3 | 0.0 | 0.088 | 0.234 | (1;000) | ✗ | 27/01/17 |
LiAlO2 | COD | 9009880 | R-3m (166) | ✔ | 4 | 18 | 2 | 6.4953 | 6.634 | 0.000 | (0;000) | ✗ | 05/01/17 |
MgB2 | COD | 1526507 | P6/mmm (191) | ✔ | 3 | 16 | 2 | 0.0 | 0.000 | 0.642 | (0;001) | ✗ | 05/01/17 |
NiCO3 | COD | 9007712 | R-3c (167) | ✔ | 10 | 64 | 3 | 0.0 | 0.009 | 0.110 | (0;000) | ✗ | 27/01/17 |
Nb2CS | ICSD | 43010 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.0 | 0.014 | 0.618 | (1;000) | ✗ | 27/01/17 |
VB | ICSD | 42952 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.019 | 0.325 | (1;000) | ✗ | 06/10/16 |
B2Mo | COD | 1510763 | P6/mmm (191) | ✔ | 3 | 20 | 3 | 0.0 | 0.003 | 0.667 | (1;000) | ✗ | 05/01/17 |
TiB2 | COD | 2002799 | P6/mmm (191) | ✔ | 3 | 18 | 3 | 0.0 | 0.010 | 0.123 | (0;001) | ✗ | 05/01/17 |
Nb2CS2 | COD | 1532143 | R-3m (166) | ✔ | 5 | 42 | 2 | 0.0 | 0.017 | 0.340 | (0;111) | ✗ | 27/01/17 |
B2W | COD | 1510851 | P6/mmm (191) | ✔ | 3 | 20 | 3 | 0.0 | 0.000 | 0.751 | (0;001) | ✗ | 05/01/17 |