▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Na3As | COD | 1008538 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.5854 | 0.585 | 0.000 | (0;000) | ✗ | 05/01/17 |
NbNiAs | ICSD | 610993 | Pnma (62) | ✔ | 12 | 112 | 3 | 0.0 | 0.009 | 0.242 | (0;000) | ✗ | 05/01/17 |
K4CO4 | ICSD | 245418 | R3m (160) | ✗ | 9 | 64 | 3 | 2.2834 | 2.355 | 0.000 | (0;000) | ✗ | 06/10/16 |
PtCl2 | ICSD | 44512 | Pnnm (58) | ✔ | 6 | 48 | 1 | 0.946 | 1.300 | 0.000 | (0;000) | ✗ | 27/01/17 |
K4CO4 | ICSD | 245421 | Cm (8) | ✗ | 9 | 64 | 3 | 0.521 | 0.796 | 0.000 | (0;000) | ✗ | 06/10/16 |
K4CO4 | ICSD | 245422 | C2 (5) | ✗ | 9 | 64 | 2 | 2.3193 | 2.486 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rh3W | COD | 1523678 | P6_3/mmc (194) | ✔ | 8 | 130 | 3 | 0.0 | 0.000 | 1.000 | (0;000) | ✗ | 27/01/17 |
YRh5 | COD | 1523668 | P6/mmm (191) | ✔ | 6 | 96 | 3 | 0.0 | 0.005 | 0.709 | (0;000) | ✗ | 27/01/17 |
TaNiAs | ICSD | 611079 | Pnma (62) | ✔ | 12 | 112 | 3 | 0.0 | 0.017 | 0.194 | (0;000) | ✗ | 05/01/17 |
SbRh | COD | 9009911 | Pnma (62) | ✔ | 8 | 88 | 3 | 0.0 | 0.054 | 0.328 | (0;000) | ✗ | 27/01/17 |
ScRh | ICSD | 105919 | Pm-3m (221) | ✔ | 2 | 28 | 3 | 0.0 | 0.020 | 0.310 | (0;000) | ✗ | 02/02/17 |
ScSiRh | ICSD | 79596 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.028 | 0.421 | (0;000) | ✗ | 27/01/17 |
RhSe | ICSD | 52069 | P6_3/mmc (194) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.711 | (0;000) | ✗ | 27/01/17 |
HfC | ICSD | 185992 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.2904 | 0.290 | 0.000 | (0;000) | ✔ | 06/10/16 |
MgSe | ICSD | 658986 | P6_3mc (186) | ✗ | 4 | 32 | 3 | 2.3123 | 2.313 | 0.000 | (0;000) | ✗ | 06/10/16 |
CrCl3 | ICSD | 22081 | R-3 (148) | ✔ | 8 | 70 | 2 | 0.0 | 0.029 | 0.399 | (0;000) | ✗ | 27/01/17 |
K4CO4 | ICSD | 245423 | R3 (146) | ✗ | 9 | 64 | 3 | 3.2247 | 3.274 | 0.000 | (0;000) | ✗ | 06/10/16 |
VNiAs | ICSD | 611097 | Pnma (62) | ✔ | 12 | 112 | 3 | 0.0 | 0.001 | 0.198 | (0;000) | ✗ | 05/01/17 |
K4CO4 | ICSD | 245424 | Cm (8) | ✗ | 9 | 64 | 3 | 2.8885 | 2.927 | 0.000 | (0;000) | ✗ | 06/10/16 |
SnRh | COD | 9008915 | P6_3/mmc (194) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.817 | (0;000) | ✗ | 27/01/17 |
TeRh | COD | 9008916 | P6_3/mmc (194) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.849 | (0;000) | ✗ | 27/01/17 |
SbAsO4 | COD | 9011214 | P2_1/m (11) | ✔ | 12 | 68 | 2 | 0.0 | 3.878 | 1.000 | (0;000) | ✗ | 05/01/17 |
ScAsO4 | ICSD | 155920 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 4.1602 | 4.160 | 0.000 | (0;000) | ✗ | 05/01/17 |
FeCl3 | ICSD | 151400 | R-3 (148) | ✔ | 8 | 58 | 2 | 0.0 | 0.026 | 0.296 | (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 |
YAsO4 | COD | 1010919 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 3.2433 | 3.280 | 0.000 | (0;000) | ✗ | 05/01/17 |
SiRu2 | ICSD | 650630 | Pnma (62) | ✔ | 12 | 144 | 3 | 0.0 | 0.012 | 0.647 | (0;000) | ✗ | 27/01/17 |
ZrRu2 | ICSD | 650784 | P6_3/mmc (194) | ✔ | 12 | 144 | 3 | 0.0 | 0.004 | 0.508 | (0;000) | ✗ | 02/02/17 |
Ru | COD | 1512537 | P6_3/mmc (194) | ✔ | 2 | 32 | 3 | 0.0 | 0.008 | 0.578 | (0;000) | ✗ | 27/01/17 |
RuS2 | COD | 9016356 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.7339 | 0.971 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sb2Ru | COD | 9012559 | Pnnm (58) | ✔ | 6 | 52 | 3 | 0.0 | 0.545 | 0.010 | (0;000) | ✗ | 27/01/17 |
As | COD | 9008573 | Cmce (64) | ✔ | 4 | 20 | 2 | 0.0 | 0.219 | 0.019 | (0;000) | ✗ | 05/01/17 |
K4CO4 | ICSD | 245426 | Cm (8) | ✗ | 9 | 64 | 3 | 2.9078 | 3.076 | 0.000 | (0;000) | ✗ | 06/10/16 |
SiRu | ICSD | 650627 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 0.0 | 0.001 | 0.162 | (0;000) | ✗ | 27/01/17 |
MgTe | ICSD | 159402 | F-43m (216) | ✗ | 2 | 16 | 3 | 2.0409 | 2.041 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sn2Ru | COD | 1522876 | I4/mcm (140) | ✔ | 6 | 88 | 3 | 0.0 | 0.011 | 0.476 | (0;000) | ✗ | 27/01/17 |
Te2Ru | COD | 1528256 | Pnnm (58) | ✔ | 6 | 56 | 3 | 0.2 | 1.021 | 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 |
SrAsPd | ICSD | 404723 | P6_3/mmc (194) | ✔ | 6 | 66 | 2 | 0.0 | 0.000 | 0.896 | (0;000) | ✗ | 05/01/17 |
ScTlS2 | ICSD | 418474 | P6_3/mmc (194) | ✔ | 8 | 72 | 2 | 0.725 | 1.667 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiS2 | COD | 1010409 | Ibam (72) | ✔ | 6 | 32 | 1 | 2.6018 | 2.896 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnS2 | COD | 9009120 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 1.4075 | 1.942 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li4CO4 | ICSD | 245388 | P-43m (215) | ✗ | 9 | 40 | 1 | 4.7041 | 5.033 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrAsPt | ICSD | 59187 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.783 | (0;000) | ✗ | 05/01/17 |
LaCl3 | ICSD | 23146 | P2_1/m (11) | ✔ | 8 | 48 | 3 | 4.3718 | 4.372 | 0.000 | (0;000) | ✗ | 06/10/16 |
TiS2 | COD | 1010275 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 0.0 | 0.374 | 0.116 | (0;000) | ✗ | 27/01/17 |
YTlS2 | ICSD | 651267 | R-3m (166) | ✔ | 4 | 36 | 2 | 1.4802 | 2.223 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiS3 | ICSD | 604398 | P2_1/m (11) | ✔ | 8 | 60 | 1 | 0.0 | 0.010 | 0.432 | (0;000) | ✗ | 27/01/17 |
TiS3 | ICSD | 651177 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.0 | 0.115 | 0.110 | (0;000) | ✗ | 27/01/17 |
TiS3 | COD | 1520546 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.2822 | 0.309 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li4CO4 | ICSD | 245389 | R3m (160) | ✗ | 9 | 40 | 1 | 1.9001 | 1.995 | 0.000 | (0;000) | ✗ | 06/10/16 |
AsRh | ICSD | 611269 | Pnma (62) | ✔ | 8 | 88 | 3 | 0.0 | 0.008 | 0.375 | (0;000) | ✗ | 05/01/17 |
Li4CO4 | ICSD | 245392 | Cm (8) | ✗ | 9 | 40 | 2 | 4.4214 | 4.983 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr(ZnSb)2 | COD | 7221361 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.001 | 0.132 | (0;000) | ✗ | 27/01/17 |
K2CN2 | ICSD | 411094 | C2/m (12) | ✔ | 5 | 32 | 1 | 3.3274 | 3.327 | 0.000 | (0;000) | ✗ | 27/01/17 |
CI4 | ICSD | 30789 | I-42m (121) | ✗ | 5 | 32 | 1 | 0.9413 | 0.943 | 0.000 | (0;000) | ✗ | 06/10/16 |
V3Sb2 | ICSD | 41814 | R-3m (166) | ✔ | 10 | 98 | 3 | 0.0 | 0.014 | 0.367 | (0;000) | ✗ | 27/01/17 |
MoC | ICSD | 183166 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.417 | (0;000) | ✔ | 06/10/16 |
MgTe | ICSD | 168348 | P6_3mc (186) | ✗ | 4 | 32 | 3 | 2.059 | 2.059 | 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 |
Sb | COD | 9013011 | P6_3/mmc (194) | ✔ | 2 | 10 | 3 | 0.0 | 0.000 | 0.871 | (0;000) | ✗ | 27/01/17 |
Li4CO4 | ICSD | 245393 | C2 (5) | ✗ | 9 | 40 | 2 | 4.5571 | 4.885 | 0.000 | (0;000) | ✗ | 06/10/16 |
SbAs | COD | 9001315 | R-3m (166) | ✔ | 2 | 10 | 3 | 0.0 | 0.157 | 0.276 | (0;000) | ✗ | 05/01/17 |
ScSb | COD | 1527139 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.001 | 0.233 | (0;000) | ✗ | 27/01/17 |
ScAs | COD | 1527138 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.014 | 0.208 | (0;000) | ✗ | 05/01/17 |
Li4CO4 | ICSD | 245405 | C2 (5) | ✗ | 9 | 40 | 1 | 6.7435 | 6.759 | 0.000 | (0;000) | ✗ | 06/10/16 |
TiCl3 | ICSD | 38236 | R-3 (148) | ✔ | 8 | 66 | 2 | 0.0 | 0.009 | 0.695 | (0;000) | ✗ | 06/10/16 |
MgCO3 | ICSD | 161821 | C222_1 (20) | ✗ | 10 | 64 | 3 | 6.3279 | 7.357 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgCO3 | ICSD | 180346 | R-3c (167) | ✔ | 10 | 64 | 3 | 5.0198 | 5.730 | 0.000 | (0;000) | ✗ | 06/10/16 |
TlSb | COD | 1010882 | Pm-3m (221) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.611 | (0;000) | ✗ | 27/01/17 |
MnN | ICSD | 184928 | P6_3mc (186) | ✗ | 4 | 40 | 3 | 0.0 | 0.027 | 0.121 | (0;000) | ✔ | 06/10/16 |
OsCl4 | ICSD | 1165 | Cmmm (65) | ✔ | 5 | 44 | 1 | 0.0 | 0.322 | 0.353 | (0;000) | ✗ | 06/10/16 |
MgCO3 | ICSD | 180347 | R-3c (167) | ✔ | 10 | 64 | 3 | 5.1369 | 5.732 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na4CO4 | ICSD | 245406 | P-43m (215) | ✗ | 9 | 64 | 1 | 2.7579 | 3.161 | 0.000 | (0;000) | ✗ | 06/10/16 |
VAs | ICSD | 611554 | Pnma (62) | ✔ | 8 | 72 | 3 | 0.0 | 0.003 | 0.186 | (0;000) | ✗ | 05/01/17 |
Sc | COD | 9008514 | P6_3/mmc (194) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.900 | (0;000) | ✗ | 27/01/17 |
YAs | COD | 9008767 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.131 | 0.186 | (0;000) | ✗ | 05/01/17 |
ScTlSe2 | ICSD | 418475 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.4619 | 1.083 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScSi | ICSD | 651815 | Cmcm (63) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.709 | (0;000) | ✗ | 27/01/17 |
ScTlTe2 | ICSD | 418476 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.0 | 0.243 | 0.108 | (0;000) | ✗ | 27/01/17 |
ScTe | COD | 2018282 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.006 | 0.357 | (0;000) | ✗ | 27/01/17 |
SiSe2 | ICSD | 24592 | Ibam (72) | ✔ | 6 | 32 | 1 | 2.1117 | 2.277 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnSe2 | ICSD | 43857 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 0.6943 | 1.066 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaSe2 | ICSD | 651956 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.809 | (0;000) | ✗ | 27/01/17 |
TlCl2 | ICSD | 4031 | I4_1/a (88) | ✔ | 12 | 108 | 1 | 2.4354 | 2.536 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na4CO4 | ICSD | 245407 | R3m (160) | ✗ | 9 | 64 | 2 | 1.9626 | 2.362 | 0.000 | (0;000) | ✗ | 06/10/16 |
YTlSe2 | ICSD | 652075 | R-3m (166) | ✔ | 4 | 36 | 2 | 1.1254 | 1.777 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrSe2 | COD | 5910026 | P-3m1 (164) | ✔ | 3 | 16 | 2 | 0.0 | 0.498 | 0.154 | (0;000) | ✗ | 27/01/17 |
ZrAs | COD | 9008970 | P6_3/mmc (194) | ✔ | 8 | 36 | 3 | 0.0 | 0.020 | 0.423 | (0;000) | ✗ | 05/01/17 |
ZrSe3 | ICSD | 652241 | P2_1/m (11) | ✔ | 8 | 44 | 2 | 0.0 | 0.504 | 0.094 | (0;000) | ✗ | 27/01/17 |
ZrSe3 | ICSD | 652252 | P2_1/m (11) | ✔ | 8 | 44 | 2 | 0.0 | 0.033 | 0.529 | (0;000) | ✗ | 27/01/17 |
Na4CO4 | ICSD | 245411 | C2 (5) | ✗ | 9 | 64 | 2 | 2.5966 | 2.872 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiAu2 | COD | 9013900 | Fd-3m (227) | ✔ | 6 | 74 | 3 | 0.0 | 0.000 | 0.596 | (0;000) | ✗ | 05/01/17 |
Se | ICSD | 150731 | Fd-3m (227) | ✔ | 2 | 12 | 3 | 0.0 | 0.198 | 0.423 | (0;000) | ✗ | 27/01/17 |
Se | COD | 9013138 | R-3 (148) | ✔ | 6 | 36 | 1 | 1.2105 | 1.351 | 0.000 | (0;000) | ✗ | 27/01/17 |
MoO3 | ICSD | 80577 | P2_1/m (11) | ✔ | 8 | 64 | 2 | 2.3284 | 3.028 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnSe | COD | 9008296 | Cmcm (63) | ✔ | 4 | 40 | 2 | 0.2641 | 0.265 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnSe | COD | 9008725 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.0 | 0.223 | 0.011 | (0;000) | ✗ | 27/01/17 |
SrSe | COD | 9008729 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 2.0378 | 2.617 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ta2Se | ICSD | 65739 | P4/nmm (129) | ✔ | 6 | 64 | 2 | 0.0 | 0.026 | 0.233 | (0;000) | ✗ | 27/01/17 |