▹ 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 |
Ba(Cu2As)2 | COD | 1521018 | R-3m (166) | ✔ | 7 | 64 | 2 | 0.0 | 0.006 | 0.401 | (1;000) | ✗ | 05/01/17 |
Rb2Sn2O3 | ICSD | 24816 | R-3m (166) | ✔ | 7 | 64 | 2 | 0.9604 | 0.960 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeSnF6 | ICSD | 25011 | R-3 (148) | ✔ | 8 | 64 | 3 | 0.3545 | 0.381 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbPO3 | ICSD | 70035 | Cmcm (63) | ✔ | 10 | 64 | 1 | 4.5945 | 4.595 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca(Cu2As)2 | ICSD | 32619 | R-3m (166) | ✔ | 7 | 64 | 2 | 0.0 | 0.006 | 0.438 | (1;000) | ✗ | 05/01/17 |
V2CrS4 | ICSD | 626655 | C2/m (12) | ✔ | 7 | 64 | 3 | 0.0 | 0.015 | 0.549 | (1;110) | ✗ | 27/01/17 |
Ti(CrS2)2 | ICSD | 626640 | C2/m (12) | ✔ | 7 | 64 | 3 | 0.0 | 0.014 | 0.455 | (0;110) | ✗ | 27/01/17 |
K2GeF6 | COD | 1010101 | P-3m1 (164) | ✔ | 9 | 64 | 1 | 6.653 | 6.680 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(Cu2As)2 | COD | 1521016 | R-3m (166) | ✔ | 7 | 64 | 2 | 0.0 | 0.011 | 0.421 | (1;000) | ✗ | 05/01/17 |
ZrO2 | COD | 1522143 | P2_1/c (14) | ✔ | 12 | 64 | 3 | 3.4213 | 3.421 | 0.000 | (0;000) | ✗ | 27/01/17 |
YCuAs2 | COD | 8100824 | P4/nmm (129) | ✔ | 8 | 64 | 3 | 0.0 | 0.048 | 0.338 | (1;000) | ✗ | 05/01/17 |
CsNbN2 | ICSD | 72546 | Fd-3m (227) | ✔ | 8 | 64 | 3 | 1.8404 | 1.853 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgSiO3 | COD | 9009217 | Cmcm (63) | ✔ | 10 | 64 | 3 | 8.0915 | 8.450 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbIr3 | COD | 1523509 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.089 | 0.537 | (1;000) | ✗ | 27/01/17 |
Rb2GeF6 | ICSD | 68982 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 6.413 | 6.413 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2GeF6 | ICSD | 26633 | P-3m1 (164) | ✔ | 9 | 64 | 1 | 6.5704 | 6.579 | 0.000 | (0;000) | ✗ | 27/01/17 |
As2PdO6 | ICSD | 187099 | P-31m (162) | ✔ | 9 | 64 | 3 | 0.0 | 0.000 | 0.618 | (0;000) | ✗ | 05/01/17 |
VIr3 | COD | 1523511 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.005 | 0.606 | (0;111) | ✗ | 27/01/17 |
TaIr3 | COD | 1523510 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.038 | 0.460 | (1;000) | ✗ | 27/01/17 |
CaTe | ICSD | 41959 | Pnma (62) | ✔ | 8 | 64 | 3 | 0.0 | 0.022 | 0.119 | (0;000) | ✗ | 27/01/17 |
HfSiCuAs | ICSD | 610322 | P4/nmm (129) | ✔ | 8 | 64 | 3 | 0.0 | 0.050 | 0.067 | (0;001) | ✗ | 05/01/17 |
Na3P | COD | 2207375 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.4447 | 0.445 | 0.000 | (0;000) | ✗ | 27/01/17 |
AsN(OF3)2 | ICSD | 68906 | C2/m (12) | ✔ | 10 | 64 | 2 | 0.0 | 0.004 | 0.358 | (0;001) | ✗ | 05/01/17 |
AsS2NF6 | ICSD | 62120 | C2/m (12) | ✔ | 10 | 64 | 1 | 2.5737 | 2.574 | 0.000 | (0;000) | ✗ | 05/01/17 |
CO2 | COD | 1010150 | Pn-3m (224) | ✔ | 12 | 64 | 3 | 1.7292 | 1.729 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr3(AlSn)2 | COD | 7222228 | Immm (71) | ✔ | 7 | 64 | 1 | 0.0 | 0.003 | 0.603 | (1;111) | ✗ | 30/01/17 |
CF4 | ICSD | 2848 | C2/c (15) | ✔ | 10 | 64 | 1 | 9.4116 | 9.472 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaCO3 | ICSD | 161820 | C222_1 (20) | ✗ | 10 | 64 | 3 | 5.1926 | 5.193 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaCO3 | ICSD | 180348 | R-3c (167) | ✔ | 10 | 64 | 2 | 5.0647 | 5.184 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaCO3 | ICSD | 180349 | R-3c (167) | ✔ | 10 | 64 | 2 | 5.1604 | 5.214 | 0.000 | (0;000) | ✗ | 06/10/16 |
CClF3 | ICSD | 49696 | Ccm2_1 (36) | ✗ | 10 | 64 | 1 | 6.6335 | 6.643 | 0.000 | (0;000) | ✗ | 06/10/16 |
C(ClF)2 | ICSD | 33946 | F2dd (43) | ✗ | 10 | 64 | 1 | 5.5318 | 5.537 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrFeSi | ICSD | 633674 | Pnma (62) | ✔ | 12 | 64 | 3 | 0.0 | 0.092 | 0.200 | (0;000) | ✗ | 27/01/17 |
C(ClF)2 | ICSD | 33947 | F2dd (43) | ✗ | 10 | 64 | 1 | 5.63 | 5.635 | 0.000 | (0;000) | ✗ | 06/10/16 |
C(ClF)2 | ICSD | 33948 | F2dd (43) | ✗ | 10 | 64 | 1 | 5.7375 | 5.742 | 0.000 | (0;000) | ✗ | 06/10/16 |
CO2 | COD | 9009242 | Pbcn (60) | ✔ | 12 | 64 | 1 | 0.5282 | 0.795 | 0.000 | (0;000) | ✗ | 27/01/17 |
K4CO4 | ICSD | 245417 | P-43m (215) | ✗ | 9 | 64 | 3 | 2.878 | 2.878 | 0.000 | (0;000) | ✗ | 06/10/16 |
K4CO4 | ICSD | 245418 | R3m (160) | ✗ | 9 | 64 | 3 | 2.2834 | 2.355 | 0.000 | (0;000) | ✗ | 06/10/16 |
K4CO4 | ICSD | 245421 | Cm (8) | ✗ | 9 | 64 | 3 | 0.521 | 0.796 | 0.000 | (0;000) | ✗ | 06/10/16 |
NiAsRh | ICSD | 601484 | P4/nmm (129) | ✔ | 6 | 64 | 3 | 0.0 | 0.000 | 0.305 | (1;001) | ✗ | 05/01/17 |
NiAsRh | COD | 9015763 | P4/nmm (129) | ✔ | 6 | 64 | 3 | 0.0 | 0.007 | 0.328 | (1;001) | ✗ | 05/01/17 |
K4CO4 | ICSD | 245422 | C2 (5) | ✗ | 9 | 64 | 2 | 2.3193 | 2.486 | 0.000 | (0;000) | ✗ | 06/10/16 |
K4CO4 | ICSD | 245423 | R3 (146) | ✗ | 9 | 64 | 3 | 3.2247 | 3.274 | 0.000 | (0;000) | ✗ | 06/10/16 |
K4CO4 | ICSD | 245424 | Cm (8) | ✗ | 9 | 64 | 3 | 2.8885 | 2.927 | 0.000 | (0;000) | ✗ | 06/10/16 |
K4CO4 | ICSD | 245425 | I-4 (82) | ✗ | 9 | 64 | 3 | 3.5033 | 3.565 | 0.000 | (0;000) | ✗ | 06/10/16 |
K4CO4 | ICSD | 245426 | Cm (8) | ✗ | 9 | 64 | 3 | 2.9078 | 3.076 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zr5Al4 | ICSD | 191012 | P6_3/mcm (193) | ✔ | 18 | 64 | 3 | 0.0 | 0.000 | 0.685 | (1;000) | ✗ | 30/01/17 |
CO2 | COD | 2007414 | Pa3 (205) | ✔ | 12 | 64 | 1 | 7.0491 | 7.049 | 0.000 | (0;000) | ✗ | 27/01/17 |
K4CO4 | ICSD | 245427 | R3 (146) | ✗ | 9 | 64 | 3 | 1.8687 | 2.055 | 0.000 | (0;000) | ✗ | 06/10/16 |
ScCl3 | ICSD | 38235 | R-3 (148) | ✔ | 8 | 64 | 2 | 3.1158 | 3.286 | 0.000 | (0;000) | ✗ | 06/10/16 |