▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sr3Ti2O7 | COD | 1530317 | I4/mmm (139) | ✔ | 12 | 96 | 2 | 2.0934 | 2.339 | 0.000 | (0;000) | ✗ | 29/03/17 |
Sr(CdSb)2 | COD | 7221362 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.015 | 0.080 | (0;000) | ✗ | 27/01/17 |
TiCl2 | COD | 9009121 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 0.0 | 0.003 | 0.554 | (0;000) | ✗ | 27/01/17 |
MgH4(ClO)2 | COD | 2103098 | C2/m (12) | ✔ | 9 | 40 | 2 | 5.5706 | 5.571 | 0.000 | (0;000) | ✗ | 27/01/17 |
Te2SO7 | COD | 7035628 | Pmn2_1 (31) | ✗ | 20 | 120 | 3 | 3.4249 | 3.454 | 0.000 | (0;000) | ✗ | 29/03/17 |
FeCl2 | COD | 9009128 | R-3m (166) | ✔ | 3 | 22 | 2 | 0.4056 | 0.438 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cu2Cl2O | COD | 9004694 | Fddd (70) | ✔ | 10 | 84 | 3 | 0.0 | 0.029 | 0.430 | (1;111) | ✗ | 27/01/17 |
FeH4(ClO)2 | COD | 9012466 | C2/m (12) | ✔ | 9 | 38 | 1 | 0.275 | 0.342 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ti(PS3)2 | COD | 1528603 | Fdd2 (43) | ✗ | 18 | 116 | 3 | 1.3284 | 1.359 | 0.000 | (0;000) | ✗ | 29/03/17 |
MgH4(ClO5)2 | COD | 2104833 | C2/m (12) | ✔ | 17 | 88 | 2 | 3.083 | 3.109 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeCl2 | COD | 9014952 | R-3m (166) | ✔ | 3 | 22 | 2 | 0.4967 | 0.504 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeCl2 | COD | 9015767 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.5433 | 0.550 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrCl2 | COD | 1010899 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 5.2948 | 5.509 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgCl2 | COD | 8103685 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 5.5256 | 5.526 | 0.000 | (0;000) | ✗ | 27/01/17 |
Hg(NCl)2 | COD | 9008060 | Cmmm (65) | ✔ | 5 | 36 | 2 | 0.0 | 0.000 | 0.623 | (0;001) | ✗ | 27/01/17 |
HgCl2 | COD | 9008046 | Pbam (55) | ✔ | 12 | 104 | 3 | 0.0 | 0.078 | 0.630 | (1;000) | ✗ | 27/01/17 |
PdCl2 | COD | 1010447 | Pnnm (58) | ✔ | 6 | 64 | 1 | 0.7905 | 1.217 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgCl2 | COD | 9009129 | R-3m (166) | ✔ | 3 | 24 | 2 | 5.3598 | 5.360 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rh4Pb5 | COD | 1522492 | Fmmm (69) | ✔ | 18 | 276 | 3 | 0.0 | 0.013 | 0.687 | (0;101) | ✗ | 29/03/17 |
NiCl2 | COD | 9009132 | R-3m (166) | ✔ | 3 | 24 | 2 | 0.0 | 0.010 | 0.603 | (0;000) | ✗ | 27/01/17 |
CO2 | COD | 1517803 | P4_2/mnm (136) | ✔ | 6 | 32 | 1 | 5.8825 | 6.623 | 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 |
HgCl | COD | 9016588 | I4/mmm (139) | ✔ | 4 | 38 | 3 | 1.4848 | 2.394 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrSn3Pd | COD | 1523463 | I4mm (107) | ✗ | 5 | 70 | 3 | 0.0 | 0.015 | 0.376 | (0;001) | ✔ | 29/03/17 |
K2PdCl6 | COD | 9011293 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 1.8218 | 1.946 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgNCl3 | COD | 9015637 | P4/mmm (123) | ✔ | 5 | 38 | 2 | 0.0 | 0.003 | 0.149 | (0;110) | ✗ | 27/01/17 |
CsPbCl3 | COD | 1530111 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.6886 | 0.689 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeCl3 | COD | 9012000 | R-3 (148) | ✔ | 8 | 58 | 2 | 0.0 | 0.009 | 0.517 | (0;000) | ✗ | 27/01/17 |
OsCl4 | COD | 4343760 | Cmmm (65) | ✔ | 5 | 44 | 1 | 0.0 | 0.322 | 0.353 | (0;000) | ✗ | 27/01/17 |
MoCl3 | COD | 5910110 | C2/m (12) | ✔ | 8 | 70 | 2 | 0.0 | 0.038 | 0.023 | (0;000) | ✗ | 27/01/17 |
Ti3Pt5 | COD | 1522192 | Ibam (72) | ✔ | 16 | 172 | 3 | 0.0 | 0.012 | 0.670 | (0;000) | ✗ | 29/03/17 |
CuAu | COD | 1510113 | P4/mmm (123) | ✔ | 2 | 22 | 3 | 0.0 | 0.034 | 0.659 | (0;001) | ✗ | 05/01/17 |
SrClF | COD | 9013892 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.8674 | 5.867 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cu2H3ClO3 | COD | 9007603 | R-3m (166) | ✔ | 18 | 100 | 3 | 0.0 | 0.000 | 0.621 | (1;000) | ✗ | 27/01/17 |
Rb2S3 | COD | 1527164 | Cmc2_1 (36) | ✗ | 10 | 72 | 1 | 1.2787 | 1.345 | 0.000 | (0;000) | ✗ | 29/03/17 |
CsCl | COD | 9008620 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 4.9154 | 4.979 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbSbS2 | COD | 1530127 | P1 (1) | ✗ | 16 | 104 | 1 | 1.8665 | 1.867 | 0.000 | (0;000) | ✗ | 29/03/17 |
RbSb | COD | 7221396 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.5751 | 0.578 | 0.000 | (0;000) | ✗ | 29/03/17 |
CsCl | COD | 9008789 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 5.122 | 5.122 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbClF | COD | 1011058 | P4/nmm (129) | ✔ | 6 | 56 | 1 | 1.7485 | 1.842 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cu2H3ClO3 | COD | 9009464 | P2_1/m (11) | ✔ | 18 | 100 | 2 | 0.0 | 0.024 | 0.386 | (0;001) | ✗ | 27/01/17 |
PbClF | COD | 1011046 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 3.1252 | 3.139 | 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 |
LiC | COD | 1521871 | Immm (71) | ✔ | 4 | 14 | 1 | 3.5408 | 3.819 | 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 |
HCl | COD | 9015375 | Fm-3m (225) | ✔ | 2 | 8 | 1 | 0.0 | 0.000 | 0.102 | (1;000) | ✗ | 27/01/17 |
HPbClO | COD | 9009482 | C2/m (12) | ✔ | 8 | 56 | 1 | 2.6542 | 2.661 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiSiRu | COD | 1523929 | Ima2 (46) | ✗ | 18 | 192 | 3 | 0.0 | 0.023 | 0.597 | ? | ✗ | 29/03/17 |
Zn3Ru | COD | 7007706 | I4/mmm (139) | ✔ | 8 | 104 | 3 | 0.0 | 0.006 | 0.707 | (0;111) | ✗ | 29/03/17 |
SiS2 | COD | 9016349 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 1.268 | 1.837 | 0.000 | (0;000) | ✗ | 29/03/17 |