▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ti2O3 | ICSD | 187466 | Pnma (62) | ✔ | 20 | 168 | 3 | 0.1059 | 0.171 | 0.000 | (0;000) | ✗ | 29/03/17 |
Hf3Al2 | ICSD | 608103 | P4_2/mnm (136) | ✔ | 20 | 168 | 3 | 0.0 | 0.007 | 0.698 | (1;000) | ✗ | 30/01/17 |
TiCdO3 | COD | 2310616 | Pna2_1 (33) | ✗ | 20 | 168 | 3 | 1.9899 | 1.990 | 0.000 | (0;000) | ✗ | 22/03/17 |
AgClO4 | ICSD | 290704 | Pnma (62) | ✔ | 24 | 168 | 3 | 2.995 | 2.995 | 0.000 | (0;000) | ✗ | 04/08/17 |
Sr2YIrO6 | ICSD | 88154 | P2_1/c (14) | ✔ | 20 | 168 | 3 | 0.0 | 0.013 | 0.129 | (0;000) | ✗ | 02/02/17 |
Sr2ScIrO6 | ICSD | 88152 | P2_1/c (14) | ✔ | 20 | 168 | 3 | 0.0 | 0.241 | 0.069 | (0;000) | ✗ | 02/02/17 |
SrSnS3 | ICSD | 651032 | Pnma (62) | ✔ | 20 | 168 | 2 | 1.0794 | 1.289 | 0.000 | (0;000) | ✗ | 02/02/17 |
KCdCl3 | ICSD | 33281 | Pnma (62) | ✔ | 20 | 168 | 2 | 3.676 | 3.816 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca2VBiO6 | ICSD | 50939 | Cmc2_1 (36) | ✗ | 20 | 168 | 1 | 2.9417 | 2.965 | 0.000 | (0;000) | ✗ | 21/03/17 |
YSnIr | ICSD | 427252 | Pnma (62) | ✔ | 12 | 168 | 3 | 0.0 | 0.034 | 0.534 | (1;000) | ✗ | 02/02/17 |
Na3MnF6 | COD | 4322721 | P2_1/c (14) | ✔ | 20 | 168 | 1 | 0.0114 | 0.032 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbCdCl3 | COD | 1530478 | Pnma (62) | ✔ | 20 | 168 | 1 | 3.7589 | 3.876 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2Sn2S5 | COD | 7221342 | C2/c (15) | ✔ | 18 | 168 | 3 | 1.4213 | 1.473 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbCuO3 | COD | 1530352 | C2/m (12) | ✔ | 20 | 168 | 3 | 1.2247 | 1.263 | 0.000 | (0;000) | ✗ | 02/02/17 |
KCdF3 | COD | 1530090 | Pnma (62) | ✔ | 20 | 168 | 3 | 3.3039 | 3.304 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca2CdSb2 | COD | 4109271 | Pnma (62) | ✔ | 20 | 168 | 1 | 0.1448 | 0.159 | 0.000 | (0;000) | ✗ | 21/03/17 |
Pb3SO6 | COD | 8103588 | P2_1/m (11) | ✔ | 20 | 168 | 3 | 2.7642 | 2.875 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pb3SO6 | ICSD | 30712 | Cmcm (63) | ✔ | 20 | 168 | 3 | 1.014 | 1.014 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiPt3 | ICSD | 649772 | P6_3/mmc (194) | ✔ | 16 | 168 | 3 | 0.0 | 0.005 | 0.276 | (1;000) | ✗ | 02/02/17 |
K2CdO2 | ICSD | 25004 | Pbcn (60) | ✔ | 20 | 168 | 2 | 1.4489 | 1.475 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl4SnSe3 | ICSD | 651938 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.0 | 0.052 | 0.044 | (0;000) | ✗ | 02/02/17 |
K4W2Cl10O | ICSD | 1923 | I4/mmm (139) | ✔ | 17 | 168 | 1 | 0.0 | 0.001 | 0.498 | (1;111) | ✗ | 11/04/17 |
CaCrO3 | ICSD | 245840 | Pnma (62) | ✔ | 20 | 168 | 3 | 0.0 | 0.003 | 0.479 | (0;000) | ✗ | 02/02/17 |
Rb2CdO2 | ICSD | 62054 | Pbcn (60) | ✔ | 20 | 168 | 3 | 1.5349 | 1.556 | 0.000 | (0;000) | ✗ | 02/02/17 |
AlCuCl4 | COD | 4322713 | Pna2_1 (33) | ✗ | 24 | 168 | 3 | 2.5852 | 2.585 | 0.000 | (0;000) | ✗ | 04/08/17 |
TiCdO3 | ICSD | 51698 | Pmc2_1 (26) | ✗ | 20 | 168 | 3 | 0.0 | 0.005 | 0.548 | ? | ✗ | 22/03/17 |
NaHgCl3 | ICSD | 38302 | Pnma (62) | ✔ | 20 | 168 | 1 | 0.4532 | 0.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2ZnO2 | ICSD | 404761 | P2_1/c (14) | ✔ | 20 | 168 | 2 | 1.5299 | 1.530 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnCl4 | ICSD | 411242 | P2_1/c (14) | ✔ | 20 | 168 | 1 | 3.5749 | 3.575 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2SrSn4 | COD | 8103057 | C2/c (15) | ✔ | 14 | 168 | 1 | 0.0 | 0.036 | 0.351 | (0;000) | ✗ | 02/02/17 |
AgAsS2 | COD | 9008166 | R-3 (148) | ✔ | 24 | 168 | 3 | 1.3242 | 1.467 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ag5SbS4 | COD | 9013429 | Cmc2_1 (36) | ✗ | 20 | 168 | 3 | 0.6855 | 0.723 | 0.000 | (0;000) | ✗ | 16/03/17 |
Y2Ga2Fe15 | ICSD | 631854 | R-3m (166) | ✔ | 19 | 168 | 3 | 3.9297 | 0.021 | 1.000 | (0;000) | ✗ | 22/03/17 |
CrSn2 | COD | 1528217 | Fddd (70) | ✔ | 12 | 168 | 3 | 0.0 | 0.010 | 0.440 | (1;111) | ✗ | 02/02/17 |
HfPt3 | COD | 1523507 | P6_3/mmc (194) | ✔ | 16 | 168 | 3 | 0.0 | 0.024 | 0.300 | (0;000) | ✗ | 02/02/17 |
KHgI3 | COD | 1529983 | Pna2_1 (33) | ✗ | 20 | 168 | 1 | 1.6841 | 1.684 | 0.000 | (0;000) | ✗ | 29/03/17 |
HfRe2 | ICSD | 150512 | P6_3/mmc (194) | ✔ | 12 | 168 | 3 | 0.0 | 0.000 | 0.801 | (0;000) | ✗ | 02/02/17 |
Tl4SnTe3 | COD | 1523050 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.0 | 0.057 | 0.193 | (0;000) | ✗ | 02/02/17 |
Ca3Hg | ICSD | 619363 | Pnma (62) | ✔ | 16 | 168 | 2 | 0.0 | 0.019 | 0.464 | (0;000) | ✗ | 21/03/17 |
Sr2Co2O5 | COD | 1528661 | Ima2 (46) | ✗ | 18 | 168 | 3 | 0.0 | 0.001 | 0.488 | ? | ✗ | 22/03/17 |
K(SnAu)3 | COD | 4304502 | Pmmn (59) | ✔ | 14 | 168 | 3 | 0.0 | 0.005 | 0.647 | (1;000) | ✗ | 21/03/17 |
K2HgS2 | ICSD | 74500 | Pbcm (57) | ✔ | 20 | 168 | 1 | 2.2608 | 2.261 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl4PbSe3 | ICSD | 648545 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.0 | 0.016 | 0.044 | (0;000) | ✗ | 02/02/17 |
RbCdBr3 | ICSD | 808 | Pnma (62) | ✔ | 20 | 168 | 1 | 2.8691 | 2.929 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta6S | ICSD | 202564 | P-1 (2) | ✔ | 14 | 168 | 3 | 0.0 | 0.020 | 0.355 | (1;100) | ✗ | 02/02/17 |
Pb | ICSD | 36296 | P4_2/mbc (135) | ✔ | 12 | 168 | 2 | 0.0 | 0.002 | 0.522 | (0;000) | ✗ | 02/02/17 |
InFeBr3 | ICSD | 75469 | Pnma (62) | ✔ | 20 | 168 | 3 | 0.209 | 0.339 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaCuS3 | ICSD | 62537 | Pnma (62) | ✔ | 20 | 168 | 3 | 0.4313 | 0.442 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlFeBr3 | ICSD | 36217 | Pnma (62) | ✔ | 20 | 168 | 1 | 0.2469 | 0.351 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnBr4 | ICSD | 51570 | P2_1/c (14) | ✔ | 20 | 168 | 1 | 2.8007 | 2.801 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl5Se2Br | ICSD | 75960 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.1085 | 0.117 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl4Te3Pb | ICSD | 648621 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.0 | 0.040 | 0.020 | (0;000) | ✗ | 02/02/17 |
BaBeF4 | COD | 5910312 | Pnma (62) | ✔ | 24 | 168 | 1 | 7.8184 | 7.862 | 0.000 | (0;000) | ✗ | 04/08/17 |
HfMn2 | COD | 1523075 | P6_3/mmc (194) | ✔ | 12 | 168 | 3 | 0.0 | 0.001 | 0.941 | (0;000) | ✗ | 27/01/17 |
Sr3Hg | ICSD | 639226 | Pnma (62) | ✔ | 16 | 168 | 2 | 0.0 | 0.010 | 0.233 | (0;000) | ✗ | 02/02/17 |
TlFeI3 | ICSD | 26423 | Pnma (62) | ✔ | 20 | 168 | 1 | 0.2199 | 0.321 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbCoTe2 | COD | 1005003 | Cmce (64) | ✔ | 16 | 168 | 2 | 0.0 | 0.004 | 0.563 | (0;000) | ✗ | 02/02/17 |
KNaZnO2 | ICSD | 38327 | P2_1/c (14) | ✔ | 20 | 168 | 3 | 1.8459 | 1.846 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaSnS3 | ICSD | 616071 | Pnma (62) | ✔ | 20 | 168 | 2 | 0.9252 | 1.180 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl5Te2Br | ICSD | 427679 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.0633 | 0.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zr3Pd4 | ICSD | 186415 | R-3 (148) | ✔ | 14 | 168 | 3 | 0.0 | 0.000 | 0.709 | (1;000) | ✗ | 02/02/17 |
ScCoSn | ICSD | 624977 | Pnma (62) | ✔ | 12 | 168 | 3 | 0.0 | 0.007 | 0.218 | (0;000) | ✗ | 02/02/17 |
BaFe4O7 | ICSD | 2530 | P6_3/m (176) | ✔ | 24 | 168 | 3 | 0.0 | 0.002 | 0.763 | (0;000) | ✗ | 04/08/17 |
TiMn2 | COD | 1523418 | P6_3/mmc (194) | ✔ | 12 | 168 | 3 | 0.0 | 0.003 | 0.823 | (0;000) | ✗ | 29/03/17 |
LiAuF4 | COD | 1510139 | P2/c (13) | ✔ | 24 | 168 | 1 | 2.1239 | 2.131 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba7(ClF6)2 | ICSD | 87084 | P-6 (174) | ✗ | 21 | 168 | 1 | 6.1133 | 6.113 | 0.000 | (0;000) | ✗ | 04/08/17 |
SrBeF4 | ICSD | 404396 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 7.6882 | 7.690 | 0.000 | (0;000) | ✗ | 04/08/17 |
TlBS2 | COD | 4027829 | R-3m (166) | ✔ | 24 | 168 | 2 | 0.0 | 0.038 | 1.000 | (1;011) | ✗ | 04/08/17 |
Na5MnO4 | ICSD | 47101 | Pmn2_1 (31) | ✗ | 20 | 168 | 1 | 0.0 | 0.009 | 0.285 | (1;001) | ✔ | 11/04/17 |
YCoSn | ICSD | 601850 | Pnma (62) | ✔ | 12 | 168 | 3 | 0.0 | 0.023 | 0.522 | (1;000) | ✗ | 02/02/17 |
TaCoTe2 | ICSD | 73738 | P2_1/c (14) | ✔ | 16 | 168 | 2 | 0.0 | 0.000 | 0.235 | (0;000) | ✗ | 02/02/17 |
Zr2Ni2Sn | ICSD | 405564 | P4_2/mnm (136) | ✔ | 20 | 168 | 3 | 0.0 | 0.008 | 0.422 | (0;000) | ✗ | 02/02/17 |
Ca2TaMnO6 | ICSD | 246091 | P2_1/m (11) | ✔ | 20 | 168 | 3 | 0.0 | 0.006 | 0.468 | (1;000) | ✗ | 02/02/17 |
NaSbF4 | ICSD | 24750 | P2_1/c (14) | ✔ | 24 | 168 | 2 | 4.2647 | 4.267 | 0.000 | (0;000) | ✗ | 04/08/17 |
FeS | COD | 9007651 | P-62c (190) | ✗ | 24 | 168 | 3 | 0.0 | 0.001 | 0.589 | ? | ✗ | 04/08/17 |
K2TeS3 | COD | 2008727 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 2.3568 | 2.390 | 0.000 | (0;000) | ✗ | 04/08/17 |
KTe2F9 | ICSD | 84364 | P-1 (2) | ✔ | 24 | 168 | 1 | 4.6391 | 4.676 | 0.000 | (0;000) | ✗ | 04/08/17 |
ZnSO4 | COD | 9009831 | Pnma (62) | ✔ | 24 | 168 | 3 | 4.1427 | 4.192 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaSe2 | ICSD | 402584 | I-42d (122) | ✗ | 24 | 168 | 1 | 1.2186 | 1.261 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li2Ti3O7 | ICSD | 426263 | P2_1/m (11) | ✔ | 24 | 168 | 3 | 3.1549 | 3.155 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2TeSe3 | ICSD | 63011 | C2/c (15) | ✔ | 24 | 168 | 1 | 1.2376 | 1.291 | 0.000 | (0;000) | ✗ | 04/08/17 |
FeS | ICSD | 89381 | P2_1/c (14) | ✔ | 24 | 168 | 3 | 0.0 | 0.017 | 0.009 | (0;000) | ✗ | 04/08/17 |
Na2TeO3 | COD | 1524895 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 3.3269 | 3.384 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaSbF4 | COD | 1530041 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 4.4558 | 4.560 | 0.000 | (0;000) | ✗ | 04/08/17 |
HfFeSi2 | ICSD | 62614 | Immm (71) | ✔ | 24 | 168 | 3 | 0.0 | 0.004 | 0.322 | (0;000) | ✗ | 04/08/17 |
GaPS4 | ICSD | 2613 | P2_1/c (14) | ✔ | 24 | 168 | 2 | 2.1386 | 2.139 | 0.000 | (0;000) | ✗ | 04/08/17 |
NbSbO4 | COD | 1530606 | Pna2_1 (33) | ✗ | 24 | 168 | 3 | 0.0 | 2.791 | 1.000 | ? | ✗ | 04/08/17 |
Mg2VBiO6 | ICSD | 90908 | Cmcm (63) | ✔ | 20 | 168 | 3 | 3.0454 | 3.076 | 0.000 | (0;000) | ✗ | 07/08/17 |
K2TeSe3 | ICSD | 63012 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 1.7685 | 1.866 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaS2 | ICSD | 644957 | I-42d (122) | ✗ | 24 | 168 | 1 | 1.9964 | 2.061 | 0.000 | (0;000) | ✗ | 04/08/17 |
TaSbO4 | COD | 1011144 | Pnna (52) | ✔ | 24 | 168 | 3 | 0.0 | 0.009 | 1.000 | (1;000) | ✗ | 04/08/17 |
TaSbO4 | COD | 9009788 | Pnna (52) | ✔ | 24 | 168 | 3 | 0.0 | 1.883 | 1.000 | (0;000) | ✗ | 04/08/17 |
Na2SeO3 | COD | 9007931 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 4.4238 | 4.459 | 0.000 | (0;000) | ✗ | 04/08/17 |
InPO4 | ICSD | 85579 | Pnma (62) | ✔ | 24 | 168 | 3 | 3.2206 | 3.365 | 0.000 | (0;000) | ✗ | 04/08/17 |
KGaSb4 | ICSD | 300158 | Pnma (62) | ✔ | 24 | 168 | 3 | 0.2385 | 0.239 | 0.000 | (0;000) | ✗ | 04/08/17 |
Re4Cl8O9 | COD | 1524180 | P-1 (2) | ✔ | 21 | 170 | 1 | 1.2481 | 1.264 | 0.000 | (0;000) | ✗ | 07/08/17 |
Cr5Si3B | ICSD | 613552 | P6_3/mcm (193) | ✔ | 18 | 170 | 3 | 0.0 | 0.000 | 0.921 | (0;000) | ✗ | 02/02/17 |
Mg2Ga5 | ICSD | 23227 | I4/mmm (139) | ✔ | 14 | 170 | 3 | 0.0 | 0.000 | 0.692 | (1;111) | ✗ | 02/02/17 |
Y3Ga9Pt2 | ICSD | 658051 | Immm (71) | ✔ | 14 | 170 | 3 | 0.0 | 0.023 | 0.290 | (1;111) | ✗ | 02/02/17 |
K5InPb8 | ICSD | 152384 | R-3m (166) | ✔ | 14 | 170 | 3 | 0.1468 | 0.186 | 0.000 | (0;000) | ✗ | 02/02/17 |