▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Na3AuS2 | COD | 1510251 | R-3c (167) | ✔ | 12 | 100 | 1 | 2.363 | 2.771 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ti3Sn | ICSD | 182427 | P6_3/mmc (194) | ✔ | 8 | 100 | 3 | 0.0 | 0.000 | 0.727 | (1;000) | ✗ | 27/01/17 |
NaHgPO4 | ICSD | 32511 | Cmcm (63) | ✔ | 14 | 100 | 1 | 1.7065 | 1.883 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaFeSi | ICSD | 633568 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.001 | 0.529 | (1;011) | ✗ | 27/01/17 |
SiC(ClF)3 | ICSD | 173735 | C2/m (12) | ✔ | 16 | 100 | 1 | 6.2495 | 6.314 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ga2PdBr8 | ICSD | 413229 | C2/m (12) | ✔ | 11 | 100 | 1 | 1.4851 | 1.485 | 0.000 | (0;000) | ✗ | 02/02/17 |
InAsH2O5 | COD | 2015029 | P-1 (2) | ✔ | 18 | 100 | 3 | 2.7601 | 2.844 | 0.000 | (0;000) | ✗ | 05/01/17 |
Rb2PbO3 | ICSD | 1413 | Cmc2_1 (36) | ✗ | 12 | 100 | 2 | 0.8375 | 0.838 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba(CO)4 | ICSD | 412830 | I4/mcm (140) | ✔ | 18 | 100 | 1 | 2.5686 | 2.652 | 0.000 | (0;000) | ✗ | 02/02/17 |
KBa4Au(CO)4 | COD | 2002878 | I4/mmm (139) | ✔ | 14 | 100 | 2 | 2.399 | 2.399 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlH4NCl4 | ICSD | 14020 | I4_1/a (88) | ✔ | 20 | 100 | 1 | 2.7439 | 2.744 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrSiIr | ICSD | 641044 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.001 | 0.528 | (1;011) | ✗ | 27/01/17 |
AlSbI6 | ICSD | 38253 | C2/m (12) | ✔ | 16 | 100 | 2 | 1.8332 | 1.897 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZnH2SeO5 | ICSD | 66749 | C2/c (15) | ✔ | 18 | 100 | 3 | 3.248 | 3.248 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaYCuS3 | ICSD | 659166 | Cmcm (63) | ✔ | 12 | 100 | 2 | 1.3296 | 1.455 | 0.000 | (0;000) | ✗ | 02/02/17 |
YAlAu | ICSD | 602610 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.002 | 0.848 | (0;011) | ✗ | 30/01/17 |
ZrGeIr | ICSD | 636771 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.506 | (1;011) | ✗ | 02/02/17 |
Cr3GeC | ICSD | 189871 | Cmcm (63) | ✔ | 10 | 100 | 3 | 0.0 | 0.007 | 0.897 | (1;110) | ✗ | 27/01/17 |
Ti3H3Au | ICSD | 611953 | Pm-3n (223) | ✔ | 14 | 100 | 3 | 0.0 | 0.000 | 0.703 | (0;111) | ✗ | 05/01/17 |
CuHOF | ICSD | 98698 | P2_1/c (14) | ✔ | 16 | 100 | 2 | 0.0 | 0.052 | 0.272 | (0;010) | ✗ | 27/01/17 |
BaScCuS3 | ICSD | 659165 | Cmcm (63) | ✔ | 12 | 100 | 2 | 0.9651 | 1.125 | 0.000 | (0;000) | ✗ | 02/02/17 |
InH4NCl4 | ICSD | 419830 | I4_1/a (88) | ✔ | 20 | 100 | 1 | 3.811 | 3.811 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb3Au | COD | 1510253 | Pm-3n (223) | ✔ | 8 | 100 | 3 | 0.0 | 0.000 | 0.689 | (1;111) | ✗ | 05/01/17 |
Ca(CO)4 | ICSD | 248078 | I4_1/amd (141) | ✔ | 18 | 100 | 1 | 4.1602 | 4.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiTaGeO5 | COD | 2103314 | C2/c (15) | ✔ | 16 | 100 | 3 | 3.8933 | 3.893 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta3Au | COD | 1510309 | Pm-3n (223) | ✔ | 8 | 100 | 3 | 0.0 | 0.000 | 0.563 | (0;000) | ✗ | 05/01/17 |
Rb3Sb2Br9 | ICSD | 39823 | P-3m1 (164) | ✔ | 14 | 100 | 2 | 1.5771 | 1.799 | 0.000 | (0;000) | ✗ | 02/02/17 |
V3Au | ICSD | 612459 | Pm-3n (223) | ✔ | 8 | 100 | 3 | 0.0 | 0.000 | 0.652 | (1;111) | ✗ | 05/01/17 |
Cs3Sb2Br9 | ICSD | 39824 | P-3m1 (164) | ✔ | 14 | 100 | 2 | 1.4378 | 1.492 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuHClO | ICSD | 91088 | P2_1/c (14) | ✔ | 16 | 100 | 2 | 0.0 | 0.030 | 0.337 | (0;001) | ✗ | 02/02/17 |
Ca(BIr)2 | COD | 7209442 | Fddd (70) | ✔ | 10 | 100 | 3 | 0.0 | 0.111 | 0.238 | (1;111) | ✗ | 05/01/17 |
Ca(BRh)2 | COD | 7209444 | Fddd (70) | ✔ | 10 | 100 | 3 | 0.0 | 0.021 | 0.206 | (1;111) | ✗ | 05/01/17 |
Fe5SiB2 | ICSD | 614183 | I4/mcm (140) | ✔ | 16 | 100 | 3 | 0.0 | 0.002 | 0.441 | (1;111) | ✗ | 05/01/17 |
Sr(BIr)2 | COD | 7209434 | Fddd (70) | ✔ | 10 | 100 | 3 | 0.0 | 0.122 | 0.228 | (1;111) | ✗ | 05/01/17 |
CuHClO | ICSD | 38384 | P2_1/c (14) | ✔ | 16 | 100 | 2 | 0.0 | 0.014 | 0.317 | (1;000) | ✗ | 02/02/17 |
CsYCdSe3 | COD | 4313788 | Cmcm (63) | ✔ | 12 | 100 | 1 | 2.1463 | 2.153 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaYCuSe3 | ICSD | 659169 | Cmcm (63) | ✔ | 12 | 100 | 2 | 1.0243 | 1.216 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr(BRh)2 | COD | 7209441 | Fddd (70) | ✔ | 10 | 100 | 3 | 0.0 | 0.043 | 0.203 | (1;111) | ✗ | 05/01/17 |
Ga2PdI8 | ICSD | 413230 | C2/m (12) | ✔ | 11 | 100 | 1 | 1.1575 | 1.304 | 0.000 | (0;000) | ✗ | 02/02/17 |
KTlCl4 | COD | 1527421 | I4_1/a (88) | ✔ | 12 | 100 | 1 | 2.6111 | 2.611 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnH2SO5 | COD | 9009373 | C2/c (15) | ✔ | 18 | 100 | 3 | 4.5755 | 4.576 | 0.000 | (0;000) | ✗ | 27/01/17 |
YNiGe | ICSD | 427255 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.738 | (0;011) | ✗ | 02/02/17 |
CsYHgSe3 | COD | 4313795 | Cmcm (63) | ✔ | 12 | 100 | 3 | 1.4666 | 1.467 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2CaCu2HgO6 | ICSD | 75729 | P4/mmm (123) | ✔ | 12 | 100 | 2 | 0.0 | 0.003 | 0.988 | (1;110) | ✗ | 05/01/17 |
BaYCuTe3 | ICSD | 88716 | Cmcm (63) | ✔ | 12 | 100 | 2 | 0.2644 | 0.632 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2Y(CuO2)3 | COD | 1001421 | P4/mmm (123) | ✔ | 12 | 100 | 3 | 0.0 | 0.013 | 0.961 | (1;000) | ✗ | 05/01/17 |
VO2 | ICSD | 73855 | C2/m (12) | ✔ | 12 | 100 | 3 | 0.0 | 0.007 | 0.944 | (1;111) | ✗ | 27/01/17 |
SrPd5 | COD | 1523822 | P6/mmm (191) | ✔ | 6 | 100 | 3 | 0.0 | 0.003 | 0.597 | (0;000) | ✗ | 27/01/17 |
Sc2Fe3Si | ICSD | 633437 | P6_3/mmc (194) | ✔ | 12 | 100 | 3 | 0.0 | 0.001 | 0.641 | (0;000) | ✗ | 27/01/17 |
BaCa(FeO2)4 | COD | 1008057 | P-31m (162) | ✔ | 14 | 100 | 2 | 0.0 | 0.000 | 0.787 | (0;001) | ✗ | 05/01/17 |