▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cs2P3 | ICSD | 65185 | Fmmm (69) | ✔ | 10 | 66 | 1 | 0.8432 | 0.843 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2TeBr6 | ICSD | 65058 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.8801 | 2.124 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zr2Al3C4 | ICSD | 159411 | P6_3/mmc (194) | ✔ | 18 | 66 | 3 | 0.0 | 0.000 | 0.988 | (1;000) | ✗ | 02/02/17 |
Rb2P3 | ICSD | 654296 | Fmmm (69) | ✔ | 10 | 66 | 1 | 0.7411 | 0.741 | 0.000 | (0;000) | ✗ | 02/02/17 |
YMnNi4 | ICSD | 643173 | F-43m (216) | ✗ | 6 | 66 | 3 | 0.0 | 0.000 | 0.568 | ? | ✗ | 15/02/17 |
CsHg2 | ICSD | 408695 | Imma (74) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.434 | (0;011) | ✗ | 02/02/17 |
H2C5SN | COD | 7200215 | P-1 (2) | ✔ | 18 | 66 | 1 | 1.9486 | 2.273 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfI3 | ICSD | 23947 | P6_3/mcm (193) | ✔ | 8 | 66 | 1 | 0.0 | 0.000 | 0.633 | (0;000) | ✗ | 02/02/17 |
TaI2O | COD | 2004011 | C2/m (12) | ✔ | 8 | 66 | 2 | 0.7657 | 0.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiF3 | ICSD | 67148 | R-3c (167) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.753 | (0;000) | ✗ | 22/03/17 |
H5(C2O)2 | COD | 4113700 | P-1 (2) | ✔ | 22 | 66 | 1 | 2.6956 | 2.724 | 0.000 | (0;000) | ✗ | 04/08/17 |
BH2S3N3F4 | ICSD | 201705 | P1 (1) | ✗ | 13 | 66 | 1 | 2.3977 | 2.402 | 0.000 | (0;000) | ✗ | 21/03/17 |
K2TeCl6 | COD | 1010188 | I4/mmm (139) | ✔ | 9 | 66 | 1 | 2.3605 | 2.621 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hf2Al3 | ICSD | 608101 | Fdd2 (43) | ✗ | 10 | 66 | 3 | 0.0 | 0.000 | 0.865 | ? | ✗ | 15/02/17 |
MgPSe3 | ICSD | 642731 | R-3 (148) | ✔ | 10 | 66 | 2 | 2.0858 | 2.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zr5Al3C | ICSD | 606294 | P6_3/mcm (193) | ✔ | 18 | 66 | 3 | 0.0 | 0.000 | 0.866 | (1;000) | ✗ | 02/02/17 |
MgPS3 | ICSD | 642729 | C2/m (12) | ✔ | 10 | 66 | 2 | 2.4505 | 2.456 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiPSe3 | ICSD | 646145 | C2/m (12) | ✔ | 10 | 66 | 2 | 0.0 | 0.021 | 0.226 | (0;000) | ✗ | 02/02/17 |
K2TeBr6 | ICSD | 65118 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.952 | 2.209 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2SeCl6 | COD | 1010222 | Fm-3m (225) | ✔ | 9 | 66 | 1 | 2.598 | 2.786 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2TeCl6 | COD | 1010233 | Fm-3m (225) | ✔ | 9 | 66 | 1 | 2.604 | 2.793 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li8Pb3 | COD | 1528240 | R-3m (166) | ✔ | 11 | 66 | 1 | 0.0 | 0.158 | 0.632 | (1;111) | ✗ | 02/02/17 |
PH8C4N3O4 | COD | 2221677 | P1 (1) | ✗ | 20 | 68 | 1 | 2.9893 | 3.073 | 0.000 | (0;000) | ✗ | 15/02/17 |
Zr3Sb | ICSD | 651786 | I-4 (82) | ✗ | 16 | 68 | 3 | 0.0 | 0.010 | 0.462 | ? | ✗ | 29/03/17 |
NaGaTe2 | ICSD | 44702 | I4/mcm (140) | ✔ | 8 | 68 | 1 | 0.1829 | 0.394 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrSi6 | ICSD | 240779 | Cmcm (63) | ✔ | 14 | 68 | 3 | 0.0 | 0.003 | 0.928 | (0;110) | ✗ | 02/02/17 |
BaCdSbF | ICSD | 421815 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.0848 | 0.085 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgCu4Sn | COD | 1525035 | F-43m (216) | ✗ | 6 | 68 | 3 | 0.0 | 0.104 | 0.259 | (0;000) | ✔ | 15/02/17 |
FeAg2SnS4 | COD | 1008963 | I-42m (121) | ✗ | 8 | 68 | 3 | 0.0 | 0.010 | 0.290 | (1;111) | ✔ | 16/03/17 |
YZnPO | ICSD | 418523 | R-3m (166) | ✔ | 8 | 68 | 3 | 1.278 | 1.369 | 0.000 | (0;000) | ✗ | 29/03/17 |
KInTe2 | COD | 2001367 | I4/mcm (140) | ✔ | 8 | 68 | 1 | 0.9234 | 1.267 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrSbSe2F | ICSD | 171430 | P4/nmm (129) | ✔ | 10 | 68 | 1 | 0.0 | 0.024 | 0.007 | (0;000) | ✗ | 02/02/17 |
AlBW | COD | 4343329 | Cmcm (63) | ✔ | 6 | 68 | 3 | 0.0 | 0.097 | 0.225 | (1;110) | ✗ | 11/04/17 |
FeCu2SnS4 | COD | 1011151 | I-42m (121) | ✗ | 8 | 68 | 3 | 0.0 | 0.001 | 0.361 | (1;111) | ✔ | 15/02/17 |
FeCu2SnSe4 | ICSD | 169839 | I-42m (121) | ✗ | 8 | 68 | 3 | 0.0 | 0.004 | 0.448 | ? | ✗ | 15/02/17 |
BaReH9 | ICSD | 75460 | P6_3/mmc (194) | ✔ | 22 | 68 | 1 | 2.9946 | 2.995 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaAl2Sb2O7 | ICSD | 154362 | R32 (155) | ✗ | 12 | 68 | 2 | 3.3911 | 3.600 | 0.000 | (0;000) | ✗ | 16/03/17 |
ScInCu4 | ICSD | 416528 | F-43m (216) | ✗ | 6 | 68 | 3 | 0.0 | 0.413 | 0.159 | (0;000) | ✔ | 15/03/17 |
H2C2I | COD | 4508289 | P-1 (2) | ✔ | 20 | 68 | 1 | 2.6863 | 2.762 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li4H6Os | ICSD | 638269 | R-3c (167) | ✔ | 22 | 68 | 1 | 2.3096 | 2.310 | 0.000 | (0;000) | ✗ | 04/08/17 |
Rb2SnHgTe4 | ICSD | 262390 | I-42m (121) | ✗ | 8 | 68 | 1 | 0.3755 | 0.886 | 0.000 | (0;000) | ✔ | 29/03/17 |
BW | COD | 9008954 | I4_1/amd (141) | ✔ | 8 | 68 | 3 | 0.0 | 0.008 | 1.000 | (1;111) | ✗ | 21/03/17 |
Pt(NCl)2 | COD | 9014307 | P4/m (83) | ✔ | 10 | 68 | 3 | 0.0 | 0.009 | 0.422 | (1;000) | ✗ | 02/02/17 |
Cs2Zr(AgTe2)2 | ICSD | 80195 | C222 (21) | ✗ | 9 | 68 | 2 | 1.2649 | 1.606 | 0.000 | (0;000) | ✗ | 16/03/17 |
S3N2O | COD | 7005890 | Cc (9) | ✗ | 12 | 68 | 1 | 2.1634 | 2.250 | 0.000 | (0;000) | ✗ | 29/03/17 |
LiH5C5N2O5 | COD | 2200233 | P1 (1) | ✗ | 18 | 68 | 1 | 2.9567 | 3.022 | 0.000 | (0;000) | ✗ | 15/02/17 |
BaGe6 | COD | 4341768 | Cmcm (63) | ✔ | 14 | 68 | 3 | 0.0 | 0.005 | 0.938 | (0;110) | ✗ | 02/02/17 |
H3C2O | COD | 2216740 | P-1 (2) | ✔ | 24 | 68 | 2 | 3.2998 | 3.326 | 0.000 | (0;000) | ✗ | 04/08/17 |
RbGeCl3 | COD | 7221358 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.6922 | 3.704 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfSb | ICSD | 638877 | P2_13 (198) | ✗ | 8 | 68 | 3 | 0.0 | 0.000 | 0.734 | ? | ✗ | 15/02/17 |