▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ge3N4 | ICSD | 637157 | P6_3/m (176) | ✔ | 14 | 64 | 3 | 2.2501 | 2.250 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnInPd2 | ICSD | 51988 | Fm-3m (225) | ✔ | 4 | 64 | 3 | 0.0 | 0.000 | 0.584 | (1;000) | ✗ | 27/01/17 |
Zr3GeO8 | ICSD | 29263 | I-42m (121) | ✗ | 12 | 64 | 3 | 3.8494 | 4.000 | 0.000 | (0;000) | ✗ | 07/10/16 |
K3VO4 | ICSD | 4138 | I-42m (121) | ✗ | 8 | 64 | 3 | 3.7908 | 3.933 | 0.000 | (0;000) | ✗ | 07/10/16 |
MgCu2 | COD | 1524810 | Fd-3m (227) | ✔ | 6 | 64 | 3 | 0.0 | 0.000 | 0.731 | (0;000) | ✗ | 27/01/17 |
ZrGeO4 | ICSD | 29262 | I4_1/a (88) | ✔ | 12 | 64 | 3 | 3.8336 | 4.048 | 0.000 | (0;000) | ✗ | 27/01/17 |
C | COD | 9012237 | Pban (50) | ✔ | 16 | 64 | 2 | 0.0 | 0.001 | 0.117 | (1;000) | ✗ | 27/01/17 |
YCuSb2 | ICSD | 153572 | P4/nmm (129) | ✔ | 8 | 64 | 3 | 0.0 | 0.045 | 0.350 | (1;000) | ✗ | 27/01/17 |
ZrSn2 | ICSD | 652857 | Fddd (70) | ✔ | 6 | 64 | 3 | 0.0 | 0.023 | 0.439 | (1;111) | ✗ | 27/01/17 |
RbScO2 | COD | 1528203 | P6_3/mmc (194) | ✔ | 8 | 64 | 2 | 3.4955 | 3.922 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbCrN | COD | 1528599 | P4/nmm (129) | ✔ | 6 | 64 | 3 | 0.0 | 0.010 | 0.490 | (0;001) | ✗ | 27/01/17 |
CdPtF6 | ICSD | 37445 | R-3 (148) | ✔ | 8 | 64 | 3 | 2.2851 | 2.289 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeWN2 | ICSD | 81488 | P6_3/mmc (194) | ✔ | 8 | 64 | 3 | 0.0 | 0.010 | 1.000 | (1;000) | ✗ | 27/01/17 |
LiTl | ICSD | 262070 | P6_3/mmc (194) | ✔ | 8 | 64 | 3 | 0.0 | 0.033 | 0.179 | (0;000) | ✗ | 27/01/17 |
C | COD | 9012592 | P6_3/mmc (194) | ✔ | 16 | 64 | 3 | 4.3691 | 5.374 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb2CrSe4 | COD | 1527788 | C2/m (12) | ✔ | 7 | 64 | 3 | 0.0 | 0.018 | 0.298 | (1;001) | ✗ | 27/01/17 |
CO2 | ICSD | 236929 | Pbcn (60) | ✔ | 12 | 64 | 1 | 0.0 | 0.002 | 0.536 | (0;000) | ✗ | 27/01/17 |
GeO2 | ICSD | 23783 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 3.2366 | 3.237 | 0.000 | (0;000) | ✗ | 06/10/16 |
KHCO3 | COD | 9010242 | P-1 (2) | ✔ | 12 | 64 | 1 | 5.7378 | 5.871 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaMoN | COD | 1525430 | P4/nmm (129) | ✔ | 6 | 64 | 3 | 0.0 | 0.001 | 0.382 | (1;000) | ✗ | 27/01/17 |
BaAg2 | COD | 1509681 | Imma (74) | ✔ | 6 | 64 | 3 | 0.0 | 0.021 | 0.390 | (0;000) | ✗ | 05/01/17 |
CaAg2 | COD | 2310070 | Imma (74) | ✔ | 6 | 64 | 3 | 0.0 | 0.035 | 0.506 | (1;000) | ✗ | 05/01/17 |
SrAg2 | COD | 1509720 | Imma (74) | ✔ | 6 | 64 | 3 | 0.0 | 0.004 | 0.482 | (0;000) | ✗ | 05/01/17 |
SrNiO2 | COD | 2002309 | Cmcm (63) | ✔ | 8 | 64 | 1 | 0.0 | 0.026 | 0.485 | (0;000) | ✗ | 27/01/17 |
GeSe2 | ICSD | 90957 | P-4 (81) | ✗ | 12 | 64 | 3 | 0.7241 | 0.727 | 0.000 | (0;000) | ✔ | 10/10/16 |
Sr(Ag2Sb)2 | ICSD | 424311 | R-3m (166) | ✔ | 7 | 64 | 2 | 0.0 | 0.187 | 0.372 | (0;111) | ✗ | 05/01/17 |
Mg2NiH2 | ICSD | 600055 | C2/m (12) | ✔ | 10 | 64 | 3 | 0.0 | 0.011 | 0.762 | (1;000) | ✗ | 27/01/17 |
SiO2 | COD | 9002782 | Pbcn (60) | ✔ | 12 | 64 | 3 | 5.5934 | 5.593 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiO2 | COD | 4124079 | P2/c (13) | ✔ | 12 | 64 | 3 | 0.4641 | 0.464 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiO2 | COD | 5910147 | P6_3/mmc (194) | ✔ | 12 | 64 | 3 | 5.6701 | 5.670 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb3Bi | ICSD | 616995 | Ccmm (63) | ✔ | 8 | 64 | 1 | 0.0 | 0.003 | 0.057 | (0;000) | ✗ | 06/10/16 |
K2PdF4 | ICSD | 33888 | C2/m (12) | ✔ | 7 | 64 | 1 | 2.0078 | 2.089 | 0.000 | (0;000) | ✗ | 27/01/17 |
N2O | COD | 1010149 | Pn-3m (224) | ✔ | 12 | 64 | 3 | 0.0 | 0.004 | 0.551 | (0;000) | ✗ | 27/01/17 |
YAgSb2 | ICSD | 190094 | P4/nmm (129) | ✔ | 8 | 64 | 3 | 0.0 | 0.039 | 0.354 | (1;000) | ✗ | 05/01/17 |
N2O | COD | 1010059 | Pa3 (205) | ✔ | 12 | 64 | 1 | 3.5955 | 3.773 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiPRh | ICSD | 646132 | P4/nmm (129) | ✔ | 6 | 64 | 3 | 0.0 | 0.042 | 0.356 | (1;000) | ✗ | 27/01/17 |
SiO2 | COD | 9006291 | C2/c (15) | ✔ | 12 | 64 | 3 | 5.825 | 5.862 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiO2 | COD | 9009218 | Pa3 (205) | ✔ | 12 | 64 | 3 | 10.1731 | 10.473 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrTiN2 | ICSD | 85770 | P4/nmm (129) | ✔ | 8 | 64 | 2 | 0.7908 | 0.791 | 0.000 | (0;000) | ✗ | 27/01/17 |
Si3N4 | COD | 1001249 | P6_3/m (176) | ✔ | 14 | 64 | 3 | 3.8214 | 4.349 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlHO2 | COD | 1011027 | Pnma (62) | ✔ | 16 | 64 | 3 | 3.8534 | 3.853 | 0.000 | (0;000) | ✗ | 05/01/17 |
AlHO2 | COD | 9010883 | Pnma (62) | ✔ | 16 | 64 | 3 | 6.0478 | 6.048 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaH2N | ICSD | 14007 | Fddd (70) | ✔ | 16 | 64 | 1 | 0.8969 | 0.913 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ti2AlN | ICSD | 184882 | P6_3/mmc (194) | ✔ | 8 | 64 | 3 | 0.0 | 0.009 | 0.549 | (1;000) | ✗ | 05/01/17 |
YAlO3 | COD | 1008923 | P6_3/mmc (194) | ✔ | 10 | 64 | 3 | 3.0644 | 3.469 | 0.000 | (0;000) | ✗ | 05/01/17 |
AlPO4 | ICSD | 159272 | Cmcm (63) | ✔ | 12 | 64 | 3 | 6.2169 | 6.335 | 0.000 | (0;000) | ✗ | 05/01/17 |
SiF4 | COD | 1010134 | Pn-3m (224) | ✔ | 10 | 64 | 3 | 3.6397 | 3.760 | 0.000 | (0;000) | ✗ | 27/01/17 |
PdBr2 | ICSD | 27443 | C2/c (15) | ✔ | 6 | 64 | 1 | 0.509 | 0.945 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgSiO3 | COD | 9003749 | R-3 (148) | ✔ | 10 | 64 | 3 | 6.2344 | 6.351 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrZrO3 | ICSD | 89362 | I4/mcm (140) | ✔ | 10 | 64 | 3 | 3.0289 | 3.029 | 0.000 | (0;000) | ✗ | 27/01/17 |