▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ti3SiC2 | COD | 1520829 | P6_3/mmc (194) | ✔ | 12 | 96 | 3 | 0.0 | 0.013 | 0.484 | (1;000) | ✗ | 27/01/17 |
Rb2PtC2 | COD | 1526414 | P-3m1 (164) | ✔ | 5 | 36 | 3 | 0.9106 | 0.913 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2PdC2 | COD | 1526412 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 1.5508 | 1.551 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnSiO3 | COD | 2106565 | C2/c (15) | ✔ | 20 | 136 | 3 | 3.6364 | 3.782 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbO3 | COD | 9014718 | P2_1/c (14) | ✔ | 16 | 92 | 3 | 0.0 | 0.015 | 0.301 | (1;000) | ✗ | 02/02/17 |
Sb2O3 | COD | 9009748 | Pccn (56) | ✔ | 20 | 112 | 3 | 0.0 | 2.096 | 1.000 | (0;000) | ✗ | 02/02/17 |
Sb2O3 | COD | 9000012 | Pccn (56) | ✔ | 20 | 112 | 1 | 0.0 | 1.400 | 1.000 | (0;000) | ✗ | 02/02/17 |
RbPO3 | COD | 2310557 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 5.46 | 5.460 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrPbO3 | COD | 2002889 | Pnma (62) | ✔ | 20 | 168 | 3 | 0.8952 | 0.895 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2TeC2 | COD | 7220793 | I4/mmm (139) | ✔ | 5 | 32 | 1 | 1.5257 | 1.827 | 0.000 | (0;000) | ✗ | 27/01/17 |
YO2 | COD | 1528091 | P2_1/c (14) | ✔ | 12 | 92 | 3 | 0.0 | 0.003 | 0.446 | (0;010) | ✗ | 02/02/17 |
SiO2 | COD | 9002649 | Ibam (72) | ✔ | 18 | 96 | 3 | 5.5541 | 5.813 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiO2 | COD | 4124083 | P-31m (162) | ✔ | 18 | 96 | 3 | 0.0 | 0.038 | 0.417 | (0;000) | ✗ | 02/02/17 |
Na2Mg(CO3)2 | COD | 9009293 | R-3 (148) | ✔ | 11 | 72 | 1 | 4.5324 | 4.554 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiO2 | COD | 4124043 | P6_3/mmc (194) | ✔ | 18 | 96 | 3 | 5.6426 | 5.643 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiP | COD | 9014942 | Pbca (61) | ✔ | 16 | 120 | 3 | 0.0 | 0.061 | 0.180 | (0;000) | ✗ | 02/02/17 |
Li2TeC2 | COD | 7220792 | P-3m1 (164) | ✔ | 5 | 20 | 1 | 0.0 | 0.036 | 0.234 | (0;000) | ✗ | 27/01/17 |
TlNiO3 | COD | 7221317 | Pnma (62) | ✔ | 20 | 164 | 3 | 0.0 | 0.001 | 0.512 | (0;110) | ✗ | 02/02/17 |
Ni3Sn2 | COD | 1523294 | Pnma (62) | ✔ | 20 | 232 | 3 | 0.0 | 0.012 | 0.513 | (1;000) | ✗ | 02/02/17 |
Sr(NiP2)2 | COD | 4002218 | Fddd (70) | ✔ | 14 | 100 | 2 | 0.0 | 0.006 | 0.534 | (1;111) | ✗ | 02/02/17 |
NbTe4 | COD | 2101236 | P4/mcc (124) | ✔ | 10 | 74 | 1 | 0.0 | 0.000 | 0.474 | (1;110) | ✗ | 02/02/17 |
NbSn2 | COD | 1528219 | Fddd (70) | ✔ | 12 | 164 | 3 | 0.0 | 0.004 | 0.590 | (1;111) | ✗ | 02/02/17 |
SrNbO3 | COD | 1521114 | Pnma (62) | ✔ | 20 | 164 | 3 | 0.0 | 0.002 | 0.636 | (0;110) | ✗ | 02/02/17 |
Be(H3C)2 | COD | 5900008 | Ibam (72) | ✔ | 18 | 36 | 1 | 4.8496 | 4.850 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb5SiSn2 | COD | 1528586 | I4/mcm (140) | ✔ | 16 | 194 | 3 | 0.0 | 0.000 | 0.532 | (1;111) | ✗ | 02/02/17 |
MgH4(CO)2 | COD | 2102790 | C2/m (12) | ✔ | 9 | 34 | 1 | 0.0 | 0.004 | 0.546 | (0;000) | ✗ | 27/01/17 |
Nb3Te4 | COD | 2310663 | P6_3/m (176) | ✔ | 14 | 126 | 3 | 0.0 | 0.000 | 0.974 | (0;000) | ✗ | 02/02/17 |
Nb2SnO6 | COD | 9004194 | C2/c (15) | ✔ | 18 | 152 | 3 | 1.9288 | 1.948 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaSi | COD | 8102990 | C2/c (15) | ✔ | 16 | 104 | 1 | 1.1134 | 1.225 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuH2C2BrN | COD | 7052608 | P-1 (2) | ✔ | 14 | 66 | 3 | 0.8149 | 1.037 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaV(SiO3)2 | COD | 2010143 | C2/c (15) | ✔ | 20 | 132 | 3 | 0.0 | 0.009 | 0.186 | (1;000) | ✗ | 02/02/17 |
NaTaO3 | COD | 1528865 | Pnma (62) | ✔ | 20 | 160 | 3 | 2.4049 | 2.405 | 0.000 | (0;000) | ✗ | 02/02/17 |
Fe5C2 | COD | 1521831 | C2/c (15) | ✔ | 14 | 96 | 3 | 0.0 | 0.011 | 0.275 | (1;000) | ✗ | 27/01/17 |
NaSbO3 | COD | 1010156 | Fd-3m (227) | ✔ | 20 | 128 | 3 | 0.0 | 0.000 | 0.586 | (0;000) | ✗ | 02/02/17 |
NaSO2 | COD | 2310568 | P2/c (13) | ✔ | 16 | 108 | 1 | 2.6817 | 2.684 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na4SnO4 | COD | 4030179 | P-1 (2) | ✔ | 18 | 148 | 1 | 2.2889 | 2.305 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2PtC2 | COD | 1526418 | P-3m1 (164) | ✔ | 5 | 36 | 3 | 0.8218 | 0.869 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2PdC2 | COD | 1526416 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 1.5635 | 1.637 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na3Sb | COD | 1010292 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.2556 | 0.256 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbN9 | COD | 7106121 | P-1 (2) | ✔ | 20 | 100 | 1 | 2.5331 | 2.586 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta3N5 | COD | 1528098 | Cmcm (63) | ✔ | 16 | 128 | 3 | 0.0 | 0.022 | 0.497 | (0;000) | ✗ | 02/02/17 |
Cd(CO2)2 | COD | 2012182 | P2_1/c (14) | ✔ | 14 | 88 | 3 | 3.3446 | 3.396 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgCd(CO3)2 | COD | 9000106 | R-3 (148) | ✔ | 10 | 66 | 3 | 0.0 | 0.013 | 0.276 | (1;111) | ✗ | 27/01/17 |
CaC2 | COD | 1010500 | Pn-3m (224) | ✔ | 12 | 72 | 1 | 1.7564 | 2.259 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaMg(CO3)2 | COD | 9001415 | R-3 (148) | ✔ | 10 | 64 | 2 | 5.1156 | 5.545 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaMg(CO3)2 | COD | 1200014 | R-3 (148) | ✔ | 10 | 64 | 2 | 5.1415 | 5.552 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2Ca(CO3)2 | COD | 9009292 | R-3m (166) | ✔ | 11 | 72 | 1 | 4.4404 | 4.440 | 0.000 | (0;000) | ✗ | 27/01/17 |
Te2Mo | COD | 2310356 | P2_1/m (11) | ✔ | 12 | 104 | 2 | 0.0 | 0.034 | 0.170 | (0;000) | ✗ | 02/02/17 |
BaMg(CO3)2 | COD | 9011458 | R-3m (166) | ✔ | 10 | 64 | 2 | 4.0954 | 4.178 | 0.000 | (0;000) | ✗ | 27/01/17 |
MoPb2O5 | COD | 7220560 | C2/m (12) | ✔ | 16 | 144 | 3 | 2.6543 | 2.911 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2MoO4 | COD | 2009101 | P-3m1 (164) | ✔ | 14 | 128 | 3 | 3.034 | 3.116 | 0.000 | (0;000) | ✗ | 02/02/17 |
Te4Mo3 | COD | 2007309 | R-3 (148) | ✔ | 14 | 132 | 3 | 0.0 | 0.095 | 0.033 | (1;111) | ✗ | 02/02/17 |
Tl(TeMo)3 | COD | 1521172 | P6_3/m (176) | ✔ | 14 | 146 | 3 | 0.0 | 0.000 | 0.290 | (0;000) | ✗ | 02/02/17 |
MnTe2 | COD | 9014758 | Pa3 (205) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.754 | (0;111) | ✗ | 02/02/17 |
MnSe2 | COD | 1010097 | Pa3 (205) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.381 | (0;111) | ✗ | 02/02/17 |
MnSeO3 | COD | 1533149 | Pnma (62) | ✔ | 20 | 156 | 3 | 0.0 | 0.001 | 0.434 | (0;110) | ✗ | 02/02/17 |
NaMn(SiO3)2 | COD | 9003407 | C2/c (15) | ✔ | 20 | 136 | 3 | 0.0 | 0.033 | 0.285 | (0;000) | ✗ | 02/02/17 |
Mn3WO6 | COD | 2002703 | R-3 (148) | ✔ | 20 | 190 | 3 | 0.0 | 0.008 | 0.504 | (0;000) | ✗ | 02/02/17 |
Mn3TeO6 | COD | 2211528 | R-3 (148) | ✔ | 20 | 174 | 3 | 0.0 | 0.001 | 0.493 | (0;000) | ✗ | 02/02/17 |
MgTa2O6 | COD | 2002433 | P4_2/mnm (136) | ✔ | 18 | 144 | 3 | 2.9855 | 3.037 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgSiO3 | COD | 2105685 | C2/c (15) | ✔ | 20 | 128 | 3 | 4.4588 | 4.459 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ti3AlC2 | COD | 7221324 | P6_3/mmc (194) | ✔ | 12 | 94 | 3 | 0.0 | 0.000 | 0.995 | (1;000) | ✗ | 27/01/17 |
Ta3AlC2 | COD | 4307745 | P6_3/mmc (194) | ✔ | 12 | 100 | 3 | 0.0 | 0.051 | 0.053 | (1;000) | ✗ | 27/01/17 |
Mg(AlC)2 | COD | 4030910 | P-3m1 (164) | ✔ | 5 | 24 | 3 | 1.602 | 2.609 | 0.000 | (0;000) | ✗ | 27/01/17 |
YMg2 | COD | 1522922 | P6_3/mmc (194) | ✔ | 12 | 124 | 1 | 0.0 | 0.000 | 0.439 | (0;000) | ✗ | 02/02/17 |
TiB | COD | 9008946 | Pnma (62) | ✔ | 8 | 60 | 3 | 0.0 | 0.000 | 0.817 | (0;011) | ✗ | 27/01/17 |
TaB | COD | 2310099 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.035 | 0.321 | (1;000) | ✗ | 27/01/17 |
Ta2B | COD | 1511330 | I4/mcm (140) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.603 | (0;111) | ✗ | 27/01/17 |
Sc3SnB | COD | 1511324 | Pm-3m (221) | ✔ | 5 | 50 | 3 | 0.0 | 0.000 | 0.112 | (1;000) | ✗ | 27/01/17 |
ZrBr | COD | 4343762 | R-3m (166) | ✔ | 4 | 22 | 2 | 0.0 | 0.043 | 0.167 | (0;111) | ✗ | 27/01/17 |
TlBr | COD | 9008825 | Pm-3m (221) | ✔ | 2 | 20 | 1 | 1.2438 | 1.649 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiV2O5 | COD | 1529744 | Cmcm (63) | ✔ | 16 | 118 | 2 | 0.0 | 0.000 | 0.985 | (1;000) | ✗ | 02/02/17 |
RbBr | COD | 9008706 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 4.2029 | 4.203 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiYO2 | COD | 1008941 | P2_1/c (14) | ✔ | 16 | 104 | 3 | 4.2319 | 4.232 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiMoS2 | COD | 1531962 | P-1 (2) | ✔ | 16 | 116 | 3 | 0.2758 | 0.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiBrO | COD | 1523160 | Pmmn (59) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.900 | (0;001) | ✗ | 27/01/17 |
ScBrO | COD | 2206575 | Pmmn (59) | ✔ | 6 | 48 | 2 | 3.3438 | 3.344 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScAu | COD | 1510291 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.714 | (0;111) | ✗ | 05/01/17 |
Br | COD | 9013118 | Cmce (64) | ✔ | 4 | 28 | 1 | 1.7043 | 1.768 | 0.000 | (0;000) | ✗ | 27/01/17 |
Br | COD | 1512496 | Cmce (64) | ✔ | 4 | 28 | 1 | 1.1847 | 1.185 | 0.000 | (0;000) | ✗ | 27/01/17 |
KRuO4 | COD | 1008130 | I4_1/a (88) | ✔ | 12 | 98 | 1 | 0.0 | 0.000 | 0.694 | (1;111) | ✗ | 02/02/17 |
KVO3 | COD | 1527491 | Pbcm (57) | ✔ | 20 | 160 | 1 | 3.0491 | 3.071 | 0.000 | (0;000) | ✗ | 02/02/17 |
KO3 | COD | 1518207 | I4/mcm (140) | ✔ | 16 | 108 | 1 | 0.0 | 0.000 | 0.588 | (0;000) | ✗ | 02/02/17 |
Sr2BrN | COD | 1528372 | R-3m (166) | ✔ | 4 | 32 | 1 | 1.8948 | 1.895 | 0.000 | (0;000) | ✗ | 27/01/17 |
BrN | COD | 9016337 | Pm-3m (221) | ✔ | 2 | 12 | 1 | 0.0 | 0.007 | 0.619 | (0;000) | ✗ | 27/01/17 |
BrN | COD | 9015934 | Fm-3m (225) | ✔ | 2 | 12 | 1 | 0.0 | 0.067 | 0.688 | (0;000) | ✗ | 27/01/17 |
NaBr | COD | 9007464 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.9836 | 3.984 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiBr | COD | 9008664 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 4.7584 | 4.758 | 0.000 | (0;000) | ✗ | 27/01/17 |
K3(PtO2)2 | COD | 1528247 | Cmcm (63) | ✔ | 18 | 142 | 3 | 0.0 | 0.000 | 0.390 | (0;000) | ✗ | 02/02/17 |
KBr | COD | 9009734 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 4.2926 | 4.293 | 0.000 | (0;000) | ✗ | 27/01/17 |
K3(NiO2)2 | COD | 1528246 | Cmcm (63) | ✔ | 18 | 142 | 3 | 0.0 | 0.000 | 0.748 | (0;000) | ✗ | 02/02/17 |
K3Na(SO4)2 | COD | 1011019 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 0.0 | 0.003 | 0.251 | (0;000) | ✗ | 02/02/17 |
InBr | COD | 9008982 | Cmcm (63) | ✔ | 4 | 40 | 3 | 1.3219 | 1.469 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrHBr | COD | 9009182 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.9561 | 3.979 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2P2Pd | COD | 7221367 | Cmcm (63) | ✔ | 10 | 92 | 2 | 0.4933 | 0.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
HBr | COD | 1010385 | Fm-3m (225) | ✔ | 2 | 8 | 1 | 0.0 | 0.000 | 0.199 | (0;000) | ✗ | 27/01/17 |
HgBr | COD | 9014145 | I4/mmm (139) | ✔ | 4 | 38 | 3 | 1.8884 | 2.563 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfBrN | COD | 1532008 | Pmmn (59) | ✔ | 6 | 48 | 2 | 2.226 | 2.226 | 0.000 | (0;000) | ✗ | 27/01/17 |
TeI | COD | 1527659 | C2/m (12) | ✔ | 8 | 52 | 2 | 0.4248 | 0.727 | 0.000 | (0;000) | ✗ | 02/02/17 |
Te2Ir | COD | 1526498 | Pnma (62) | ✔ | 12 | 116 | 3 | 0.0 | 0.001 | 0.211 | (0;011) | ✗ | 02/02/17 |