▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TiSe | COD | 9008919 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.0 | 0.000 | 0.450 | (0;000) | ✗ | 27/01/17 |
VSe | COD | 9008923 | P6_3/mmc (194) | ✔ | 4 | 38 | 3 | 0.0 | 0.000 | 0.838 | (0;000) | ✗ | 27/01/17 |
VCl5 | ICSD | 425146 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.3098 | 0.388 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na4CO4 | ICSD | 245412 | R3 (146) | ✗ | 9 | 64 | 1 | 3.325 | 3.663 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca(GeAu)2 | COD | 7209401 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.093 | 0.745 | (0;000) | ✗ | 05/01/17 |
Si2W | COD | 1010283 | I4/mmm (139) | ✔ | 3 | 22 | 3 | 0.0 | 0.047 | 0.269 | (0;000) | ✗ | 27/01/17 |
Ca(AuO2)2 | COD | 7209402 | I4_1/a (88) | ✔ | 14 | 112 | 3 | 1.6019 | 1.602 | 0.000 | (0;000) | ✗ | 05/01/17 |
Na4CO4 | ICSD | 245413 | Cm (8) | ✗ | 9 | 64 | 1 | 3.3773 | 3.693 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na4CO4 | ICSD | 245414 | Cm (8) | ✗ | 9 | 64 | 2 | 3.6393 | 3.918 | 0.000 | (0;000) | ✗ | 06/10/16 |
Si | ICSD | 163246 | I4/mmm (139) | ✔ | 1 | 4 | 1 | 0.0 | 0.027 | 0.613 | (0;000) | ✗ | 27/01/17 |
Si | COD | 4507226 | Fd-3m (227) | ✔ | 4 | 16 | 3 | 0.0 | 0.001 | 0.383 | (0;000) | ✗ | 27/01/17 |
Si | ICSD | 67775 | P6_3/mmc (194) | ✔ | 4 | 16 | 3 | 0.3357 | 1.061 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgGaAu2 | COD | 2019456 | P6_3/mmc (194) | ✔ | 8 | 90 | 3 | 0.0 | 0.000 | 0.830 | (0;000) | ✗ | 05/01/17 |
Na4CO4 | ICSD | 245415 | R3 (146) | ✗ | 9 | 64 | 3 | 2.8246 | 3.273 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr(GeAu)2 | COD | 7209408 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.080 | 0.713 | (0;000) | ✗ | 05/01/17 |
ScInAu2 | COD | 1510427 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.081 | 0.410 | (0;000) | ✗ | 05/01/17 |
MoS2 | ICSD | 38401 | R3m (160) | ✗ | 3 | 26 | 2 | 0.8476 | 1.670 | 0.000 | (0;000) | ✗ | 06/10/16 |
Si | COD | 9012919 | P6_3/mmc (194) | ✔ | 2 | 8 | 3 | 0.0 | 0.008 | 0.744 | (0;000) | ✗ | 27/01/17 |
Si | COD | 9013107 | Fd-3m (227) | ✔ | 2 | 8 | 3 | 0.5742 | 2.519 | 0.000 | (0;000) | ✗ | 27/01/17 |
ICl3 | ICSD | 24714 | P-1 (2) | ✔ | 8 | 56 | 1 | 1.5447 | 1.545 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrZnSi | ICSD | 86388 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.024 | 0.246 | (0;000) | ✗ | 27/01/17 |
Na4CO4 | ICSD | 245416 | R3 (146) | ✗ | 9 | 64 | 3 | 0.4066 | 0.800 | 0.000 | (0;000) | ✔ | 06/10/16 |
YInAu2 | COD | 1510436 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.067 | 0.399 | (0;000) | ✗ | 05/01/17 |
NaAu2 | COD | 1510444 | Fd-3m (227) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.620 | (0;000) | ✗ | 05/01/17 |
CSO | ICSD | 33540 | R3m (160) | ✗ | 3 | 16 | 1 | 4.804 | 4.970 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr(AuO2)2 | COD | 1510452 | I4_1/a (88) | ✔ | 14 | 112 | 3 | 1.6058 | 1.644 | 0.000 | (0;000) | ✗ | 05/01/17 |
ZrVSi | COD | 9008332 | P4/nmm (129) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.805 | (0;000) | ✗ | 27/01/17 |
WCl6 | ICSD | 26081 | R-3 (148) | ✔ | 7 | 56 | 1 | 1.782 | 1.845 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb4CO4 | ICSD | 245429 | P-43m (215) | ✗ | 9 | 64 | 3 | 2.4483 | 2.448 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbAu2 | COD | 1510457 | Fd-3m (227) | ✔ | 6 | 72 | 3 | 0.0 | 0.061 | 0.085 | (0;000) | ✗ | 05/01/17 |
Rb4CO4 | ICSD | 245430 | R3m (160) | ✗ | 9 | 64 | 1 | 0.472 | 0.532 | 0.000 | (0;000) | ✔ | 06/10/16 |
Au2S | COD | 1510461 | Pn-3m (224) | ✔ | 6 | 56 | 3 | 0.9644 | 0.964 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrAu2 | COD | 1510467 | Imma (74) | ✔ | 6 | 64 | 3 | 0.0 | 0.023 | 0.467 | (0;000) | ✗ | 05/01/17 |
Sn | COD | 9008568 | Fd-3m (227) | ✔ | 2 | 28 | 3 | 0.0 | 0.000 | 0.107 | (0;000) | ✗ | 27/01/17 |
CN2 | ICSD | 247676 | P-42_1m (113) | ✗ | 6 | 28 | 2 | 4.6848 | 4.993 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sn | COD | 9012005 | Fm-3m (225) | ✔ | 1 | 14 | 1 | 0.0 | 0.262 | 0.540 | (0;000) | ✗ | 27/01/17 |
MoSe2 | ICSD | 16948 | R3m (160) | ✗ | 3 | 26 | 0 | 0.8542 | 1.333 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrZnSn | ICSD | 54356 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.013 | 0.185 | (0;000) | ✗ | 27/01/17 |
CoSb2 | ICSD | 624899 | Pnnm (58) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.933 | (0;000) | ✗ | 27/01/17 |
SnTe | COD | 9008726 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.1954 | 0.233 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb4CO4 | ICSD | 245433 | Cm (8) | ✗ | 9 | 64 | 3 | 1.0307 | 1.136 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ti2Sn | COD | 1527932 | P6_3/mmc (194) | ✔ | 6 | 76 | 3 | 0.0 | 0.016 | 0.013 | (0;000) | ✗ | 27/01/17 |
Rb4CO4 | ICSD | 245434 | C2 (5) | ✗ | 9 | 64 | 1 | 1.1845 | 1.310 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsAu3S2 | COD | 1510489 | P-3m1 (164) | ✔ | 6 | 54 | 2 | 1.6491 | 1.649 | 0.000 | (0;000) | ✗ | 05/01/17 |
CoTe2 | ICSD | 25678 | Pmnn (58) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.783 | (0;000) | ✗ | 06/10/16 |
Rb4CO4 | ICSD | 245436 | Cm (8) | ✗ | 9 | 64 | 3 | 1.2935 | 1.339 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsAu3Se2 | COD | 1510490 | P-3m1 (164) | ✔ | 6 | 54 | 2 | 1.5634 | 1.592 | 0.000 | (0;000) | ✗ | 05/01/17 |
S | COD | 9008578 | R-3 (148) | ✔ | 6 | 36 | 1 | 2.1417 | 2.167 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb4CO4 | ICSD | 245437 | R3 (146) | ✗ | 9 | 64 | 3 | 2.8509 | 2.870 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr | ICSD | 109026 | I4/mcm (140) | ✔ | 4 | 40 | 1 | 0.0 | 0.005 | 0.557 | (0;000) | ✗ | 27/01/17 |