▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
H2 | COD | 9012915 | P6_3/mmc (194) | ✔ | 2 | 2 | 1 | 0.0 | 0.000 | 0.699 | (1;000) | ✗ | 27/01/17 |
In2O3 | COD | 4343793 | R-3c (167) | ✔ | 10 | 88 | 3 | 1.2828 | 1.318 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbH | COD | 9008709 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 2.9175 | 2.918 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiIn2Ir | COD | 1527270 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.003 | 0.869 | (1;000) | ✗ | 27/01/17 |
SrIr2 | COD | 1523825 | Fd-3m (227) | ✔ | 6 | 88 | 3 | 0.0 | 0.012 | 0.416 | (0;000) | ✗ | 27/01/17 |
VInO4 | COD | 4336635 | Cmcm (63) | ✔ | 12 | 100 | 3 | 3.1178 | 3.118 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbInO4 | COD | 1524100 | P2/c (13) | ✔ | 12 | 100 | 3 | 3.3256 | 3.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
Al2Pt | COD | 9009032 | Fm-3m (225) | ✔ | 3 | 16 | 3 | 0.0 | 0.009 | 0.823 | (0;000) | ✗ | 05/01/17 |
In2Se3 | COD | 1528774 | R-3m (166) | ✔ | 5 | 44 | 1 | 0.0 | 0.008 | 0.378 | (0;111) | ✗ | 27/01/17 |
TaInO4 | COD | 4329321 | P2/c (13) | ✔ | 12 | 100 | 3 | 3.8358 | 3.989 | 0.000 | (0;000) | ✗ | 27/01/17 |
InPO4 | COD | 2310636 | Cmcm (63) | ✔ | 12 | 84 | 3 | 2.9447 | 3.247 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr3(AlSi)2 | COD | 7221268 | Immm (71) | ✔ | 7 | 44 | 1 | 0.0 | 0.012 | 0.570 | (1;111) | ✗ | 05/01/17 |
Y(SiIr)2 | COD | 1518050 | P4/nmm (129) | ✔ | 10 | 106 | 3 | 0.0 | 0.000 | 0.926 | (0;000) | ✗ | 27/01/17 |
Sc3In | COD | 2310365 | P6_3/mmc (194) | ✔ | 8 | 92 | 3 | 0.0 | 0.000 | 0.650 | (1;000) | ✗ | 27/01/17 |
VInO4 | COD | 4336636 | P2/c (13) | ✔ | 12 | 100 | 3 | 1.0414 | 1.150 | 0.000 | (0;000) | ✗ | 27/01/17 |
InSb | COD | 1525500 | Pmmn (59) | ✔ | 4 | 36 | 3 | 0.0 | 0.010 | 0.580 | (0;000) | ✗ | 27/01/17 |
ScIr2 | COD | 2310175 | Fd-3m (227) | ✔ | 6 | 90 | 3 | 0.0 | 0.000 | 0.329 | (0;000) | ✗ | 27/01/17 |
InS | COD | 9008787 | Pnma (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.001 | 0.559 | (0;011) | ✗ | 27/01/17 |
TiAl2 | COD | 1528043 | Cmmm (65) | ✔ | 6 | 36 | 3 | 0.0 | 0.010 | 0.449 | (1;110) | ✗ | 05/01/17 |
Li2O | COD | 1514092 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 4.981 | 5.252 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2Te | COD | 9009058 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.9966 | 2.058 | 0.000 | (0;000) | ✗ | 27/01/17 |
Te2Ir | COD | 1526500 | P4_2/mnm (136) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.870 | (0;111) | ✗ | 27/01/17 |
Nb3Ir | COD | 1523690 | Pm-3n (223) | ✔ | 8 | 112 | 3 | 0.0 | 0.000 | 0.558 | (1;000) | ✗ | 27/01/17 |
TaIr3 | COD | 1523510 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.038 | 0.460 | (1;000) | ✗ | 27/01/17 |
MoIr3 | COD | 1523680 | P6_3/mmc (194) | ✔ | 8 | 130 | 3 | 0.0 | 0.000 | 0.878 | (0;000) | ✗ | 27/01/17 |
NbIr3 | COD | 1523509 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.089 | 0.537 | (1;000) | ✗ | 27/01/17 |
MoIr | COD | 1523679 | Pmma (51) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.817 | (0;001) | ✗ | 27/01/17 |
VIr3 | COD | 1523511 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.005 | 0.606 | (0;111) | ✗ | 27/01/17 |
Mg3Ir | COD | 1523606 | P6_3/mmc (194) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.869 | (1;000) | ✗ | 27/01/17 |
TaIr | COD | 1523600 | Pmma (51) | ✔ | 12 | 180 | 3 | 0.0 | 0.009 | 0.863 | (0;100) | ✗ | 27/01/17 |
IrPb | COD | 1522693 | P6_3/mmc (194) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.897 | (1;000) | ✗ | 27/01/17 |
NbIr | COD | 2310164 | P4/mmm (123) | ✔ | 2 | 30 | 3 | 0.0 | 0.004 | 0.541 | (0;001) | ✗ | 27/01/17 |
IrO2 | COD | 5910069 | P4_2/mnm (136) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.597 | (0;000) | ✗ | 27/01/17 |
SnIr | COD | 1522618 | P6_3/mmc (194) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.902 | (0;000) | ✗ | 27/01/17 |
TaAl3 | COD | 4312726 | I4/mmm (139) | ✔ | 4 | 22 | 3 | 0.0 | 0.004 | 0.180 | (0;000) | ✗ | 05/01/17 |
SiIr | COD | 1527672 | Pnma (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.002 | 0.353 | (0;011) | ✗ | 27/01/17 |
K2S | COD | 1011375 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 2.3821 | 2.580 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2NiO2 | COD | 1530497 | I4/mmm (139) | ✔ | 5 | 40 | 1 | 0.0 | 0.056 | 0.246 | (0;000) | ✗ | 27/01/17 |
VIr | COD | 2310206 | Cmmm (65) | ✔ | 4 | 60 | 3 | 0.0 | 0.017 | 0.606 | (0;111) | ✗ | 27/01/17 |
TeIr | COD | 9008897 | P6_3/mmc (194) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.772 | (0;000) | ✗ | 27/01/17 |
V3Ir | COD | 1523683 | Pm-3n (223) | ✔ | 8 | 112 | 3 | 0.0 | 0.000 | 0.473 | (0;000) | ✗ | 27/01/17 |
YIr | COD | 1523282 | Pm-3m (221) | ✔ | 2 | 28 | 3 | 0.0 | 0.181 | 0.217 | (0;000) | ✗ | 27/01/17 |
ZrAl3 | COD | 2100751 | I4/mmm (139) | ✔ | 8 | 26 | 3 | 0.0 | 0.005 | 0.764 | (0;000) | ✗ | 05/01/17 |
IrW | COD | 1523681 | Pmma (51) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.984 | (0;101) | ✗ | 27/01/17 |
K2Se | COD | 9009057 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 2.0628 | 2.195 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2O | COD | 9009055 | Fm-3m (225) | ✔ | 3 | 24 | 3 | 1.7816 | 2.244 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2Sn2O3 | COD | 1527186 | R-3m (166) | ✔ | 7 | 64 | 2 | 0.9774 | 0.977 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2Pb(SO4)2 | COD | 9012718 | R-3m (166) | ✔ | 13 | 92 | 1 | 3.8802 | 4.111 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2Pt | COD | 9016555 | Fm-3m (225) | ✔ | 3 | 28 | 1 | 0.6883 | 0.745 | 0.000 | (0;000) | ✗ | 27/01/17 |
Al5Fe | COD | 2101159 | Cmcm (63) | ✔ | 12 | 46 | 3 | 0.0 | 0.000 | 0.724 | (0;110) | ✗ | 05/01/17 |
Al5Mo | COD | 1522873 | R-3c (167) | ✔ | 12 | 58 | 3 | 0.0 | 0.000 | 0.712 | (0;111) | ✗ | 05/01/17 |
Li2VSiO5 | COD | 2006996 | P4/nmm (129) | ✔ | 18 | 106 | 2 | 0.0 | 0.000 | 0.927 | (0;001) | ✗ | 27/01/17 |
KP | COD | 9016510 | I4_1/amd (141) | ✔ | 4 | 28 | 1 | 0.0 | 0.015 | 0.048 | (1;111) | ✗ | 27/01/17 |
KPd2O3 | COD | 4314864 | R-3m (166) | ✔ | 12 | 126 | 3 | 0.084 | 0.485 | 0.000 | (0;000) | ✗ | 27/01/17 |
KMnP | COD | 1521902 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.821 | (1;000) | ✗ | 27/01/17 |
K3SbO4 | COD | 2012333 | P2/c (13) | ✔ | 16 | 112 | 3 | 2.5564 | 2.613 | 0.000 | (0;000) | ✗ | 27/01/17 |
KMgSb | COD | 9008327 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.0987 | 1.115 | 0.000 | (0;000) | ✗ | 27/01/17 |
KN3 | COD | 2310495 | I4/mcm (140) | ✔ | 8 | 48 | 3 | 0.0 | 0.007 | 0.710 | (0;111) | ✗ | 27/01/17 |
KMnSb | COD | 1521901 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.824 | (1;000) | ✗ | 27/01/17 |
KN3 | COD | 1010391 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 4.4493 | 4.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
KZn4P3 | COD | 4326070 | R-3m (166) | ✔ | 8 | 72 | 2 | 0.4584 | 0.500 | 0.000 | (0;000) | ✗ | 27/01/17 |
KTaO3 | COD | 5910018 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 2.0924 | 2.703 | 0.000 | (0;000) | ✗ | 27/01/17 |
KSbO3 | COD | 1010566 | R-3 (148) | ✔ | 10 | 64 | 3 | 2.1217 | 2.300 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaAlAsO4F | COD | 1011040 | C2/c (15) | ✔ | 16 | 96 | 3 | 4.1684 | 4.168 | 0.000 | (0;000) | ✗ | 05/01/17 |
KTlO | COD | 1528008 | C2/m (12) | ✔ | 6 | 56 | 1 | 1.2719 | 1.734 | 0.000 | (0;000) | ✗ | 27/01/17 |
KSO4 | COD | 1010892 | P-1 (2) | ✔ | 12 | 78 | 1 | 0.4677 | 0.523 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2O2 | COD | 9008989 | Cmce (64) | ✔ | 8 | 60 | 1 | 2.4198 | 2.510 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2ZrO3 | COD | 2300535 | C2/c (15) | ✔ | 12 | 56 | 3 | 3.12 | 3.329 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2MgPb | COD | 1522014 | Fm-3m (225) | ✔ | 4 | 30 | 1 | 0.0 | 0.000 | 0.455 | (1;000) | ✗ | 27/01/17 |
KYS2 | COD | 2105803 | R-3m (166) | ✔ | 4 | 32 | 2 | 2.2739 | 2.974 | 0.000 | (0;000) | ✗ | 27/01/17 |
KZnP | COD | 7221374 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.9058 | 0.906 | 0.000 | (0;000) | ✗ | 27/01/17 |
KScS2 | COD | 2020007 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.7182 | 2.440 | 0.000 | (0;000) | ✗ | 27/01/17 |
KZnSb | COD | 7221375 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.3531 | 0.353 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlAuO2 | COD | 1531586 | P6_3/mmc (194) | ✔ | 8 | 52 | 3 | 0.5094 | 1.563 | 0.000 | (0;000) | ✗ | 05/01/17 |
AlAu | COD | 1523318 | P2_1/m (11) | ✔ | 8 | 56 | 3 | 0.0 | 0.126 | 0.308 | (1;000) | ✗ | 05/01/17 |
Li2PdO2 | COD | 1528454 | Immm (71) | ✔ | 5 | 36 | 1 | 1.3852 | 1.861 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaLi2N | COD | 1526563 | Cmmm (65) | ✔ | 4 | 20 | 2 | 0.0 | 0.008 | 0.571 | (1;110) | ✗ | 27/01/17 |
Li2MnO3 | COD | 1514066 | C2/m (12) | ✔ | 12 | 78 | 2 | 0.053 | 0.078 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaLi2N | COD | 1526562 | Fm-3m (225) | ✔ | 4 | 20 | 1 | 2.8455 | 2.846 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaLi2N | COD | 1526565 | P6/mmm (191) | ✔ | 4 | 20 | 1 | 0.0 | 0.010 | 0.057 | (1;000) | ✗ | 27/01/17 |
AlBMo | COD | 1528606 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.020 | 0.209 | (1;110) | ✗ | 05/01/17 |
AlBO3 | COD | 9011182 | R-3c (167) | ✔ | 10 | 48 | 3 | 5.9642 | 6.081 | 0.000 | (0;000) | ✗ | 05/01/17 |
MnSb | COD | 9008900 | P6_3/mmc (194) | ✔ | 4 | 40 | 3 | 0.0 | 0.007 | 0.421 | (1;000) | ✗ | 27/01/17 |
Mg2Si | COD | 1011355 | Fm-3m (225) | ✔ | 3 | 24 | 3 | 0.2225 | 1.756 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiNO3 | COD | 1011340 | R-3m (166) | ✔ | 5 | 26 | 3 | 0.0 | 0.012 | 0.680 | (1;111) | ✗ | 27/01/17 |
Li4SiO4 | COD | 1532523 | P-1 (2) | ✔ | 18 | 80 | 1 | 4.9579 | 5.193 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2S | COD | 9009060 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 3.3651 | 4.208 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2Se | COD | 9009061 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 2.8431 | 3.253 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaAlF5 | COD | 1000300 | C2/c (15) | ✔ | 14 | 96 | 1 | 7.4033 | 7.403 | 0.000 | (0;000) | ✗ | 05/01/17 |
Li2Pt | COD | 1523301 | P6/mmm (191) | ✔ | 3 | 16 | 1 | 0.0 | 0.077 | 0.580 | (1;000) | ✗ | 27/01/17 |
Li2S | COD | 1526194 | Pnma (62) | ✔ | 12 | 48 | 2 | 3.8559 | 4.113 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2ZnSn | COD | 1522875 | Fm-3m (225) | ✔ | 4 | 32 | 3 | 0.0 | 0.000 | 0.574 | (0;000) | ✗ | 27/01/17 |
AlClO | COD | 9009194 | Pmmn (59) | ✔ | 6 | 32 | 2 | 3.5066 | 3.673 | 0.000 | (0;000) | ✗ | 05/01/17 |
Li3Tl | COD | 7221247 | Fm-3m (225) | ✔ | 4 | 22 | 1 | 0.0 | 0.000 | 0.826 | (0;000) | ✗ | 27/01/17 |
Li3SbO4 | COD | 2012121 | P2/c (13) | ✔ | 16 | 76 | 1 | 3.4604 | 3.474 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2Te | COD | 9009062 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 2.2058 | 2.887 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li3N | COD | 4311893 | P6/mmm (191) | ✔ | 4 | 14 | 0 | 1.0073 | 1.215 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li3Sb | COD | 1011380 | Fm-3m (225) | ✔ | 4 | 14 | 1 | 0.4978 | 2.071 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li3P | COD | 2212780 | P6_3/mmc (194) | ✔ | 8 | 28 | 1 | 0.695 | 2.117 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li3Sb | COD | 1010289 | P6_3/mmc (194) | ✔ | 8 | 28 | 1 | 0.25 | 1.619 | 0.000 | (0;000) | ✗ | 27/01/17 |