▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaSe2 | ICSD | 16358 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.009 | 1.076 | 0.000 | (0;000) | ✗ | 06/10/16 |
KSnAs | ICSD | 40815 | Ccm2_1 (36) | ✗ | 6 | 56 | 0 | 0.4164 | 0.458 | 0.000 | (0;000) | ✔ | 06/10/16 |
KSnAs | ICSD | 610765 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.5034 | 0.530 | 0.000 | (0;000) | ✗ | 06/10/16 |
KSnAs | ICSD | 65413 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.4164 | 0.458 | 0.000 | (0;000) | ✔ | 06/10/16 |
NbCr2 | COD | 1524739 | Fd-3m (227) | ✔ | 6 | 82 | 3 | 0.0 | 0.000 | 0.858 | (0;000) | ✗ | 27/01/17 |
BaF2 | ICSD | 41651 | P6_3/mmc (194) | ✔ | 6 | 48 | 2 | 5.7976 | 6.002 | 0.000 | (0;000) | ✗ | 05/01/17 |
HfCr2 | ICSD | 626143 | Fd-3m (227) | ✔ | 6 | 80 | 3 | 0.0 | 0.000 | 0.639 | (0;000) | ✗ | 27/01/17 |
SrSb2 | ICSD | 52307 | P2_1/m (11) | ✔ | 6 | 40 | 1 | 0.0 | 0.140 | 0.143 | (0;010) | ✔ | 27/01/17 |
TaCr2 | ICSD | 626867 | Fd-3m (227) | ✔ | 6 | 82 | 3 | 0.0 | 0.000 | 0.868 | (0;000) | ✗ | 27/01/17 |
ScCo2 | COD | 1524430 | Fd-3m (227) | ✔ | 6 | 90 | 3 | 0.0 | 0.000 | 0.416 | (0;000) | ✗ | 27/01/17 |
CaAgBi | ICSD | 416283 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.025 | 0.154 | (0;000) | ✔ | 06/10/16 |
Ba2Bi | ICSD | 2141 | I4/mmm (139) | ✔ | 6 | 70 | 1 | 0.0 | 0.014 | 0.226 | (0;111) | ✗ | 02/02/17 |
YCo2 | ICSD | 625640 | Fd-3m (227) | ✔ | 6 | 90 | 3 | 0.0 | 0.000 | 0.401 | (0;000) | ✗ | 27/01/17 |
MgH2 | ICSD | 168831 | P4_2/mnm (136) | ✔ | 6 | 24 | 1 | 3.7327 | 4.585 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaCo2 | COD | 1525074 | Fd-3m (227) | ✔ | 6 | 94 | 3 | 0.0 | 0.000 | 0.552 | (0;000) | ✗ | 27/01/17 |
ZrCr2 | COD | 1524738 | Fd-3m (227) | ✔ | 6 | 64 | 3 | 0.0 | 0.000 | 0.629 | (0;000) | ✗ | 27/01/17 |
YClO | ICSD | 60585 | R-3m (166) | ✔ | 6 | 48 | 2 | 4.0542 | 4.591 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2Bi | ICSD | 42136 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.059 | 0.073 | (0;000) | ✗ | 06/10/16 |
Co2Sn | COD | 1525127 | P6_3/mmc (194) | ✔ | 6 | 96 | 3 | 0.0 | 0.021 | 0.584 | (0;000) | ✗ | 27/01/17 |
TiCo2 | COD | 1525441 | Fd-3m (227) | ✔ | 6 | 92 | 3 | 0.0 | 0.006 | 0.625 | (0;000) | ✗ | 27/01/17 |
BiF5 | ICSD | 25023 | I4/m (87) | ✔ | 6 | 50 | 2 | 3.1288 | 3.527 | 0.000 | (0;000) | ✗ | 05/01/17 |
CaBiAu | ICSD | 248677 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.017 | 0.085 | (1;000) | ✔ | 06/10/16 |
KCdSb | ICSD | 620064 | P4/nmm (129) | ✔ | 6 | 52 | 1 | 0.0 | 0.022 | 0.014 | (0;000) | ✗ | 27/01/17 |
CaBiAu | ICSD | 248679 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.016 | 0.069 | (1;000) | ✔ | 06/10/16 |
Hf2Bi | ICSD | 168286 | C2/m (12) | ✔ | 6 | 58 | 3 | 0.0 | 0.030 | 0.460 | (0;110) | ✗ | 06/10/16 |
CaBiAu | ICSD | 248681 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.039 | 0.081 | (0;000) | ✔ | 06/10/16 |
CaBiAu | ICSD | 248683 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.043 | 0.125 | (0;000) | ✔ | 06/10/16 |
CaBiAu | ICSD | 248685 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.029 | 0.076 | (1;000) | ✔ | 06/10/16 |
HfGaAu | ICSD | 156265 | P-6m2 (187) | ✗ | 6 | 72 | 3 | 0.0 | 0.299 | 0.297 | (0;000) | ✔ | 06/10/16 |
BaAg2 | COD | 1509681 | Imma (74) | ✔ | 6 | 64 | 3 | 0.0 | 0.021 | 0.390 | (0;000) | ✗ | 05/01/17 |
ZrGaAu | ICSD | 156264 | P-6m2 (187) | ✗ | 6 | 56 | 3 | 0.0 | 0.287 | 0.291 | (0;000) | ✔ | 06/10/16 |
CaAg2 | COD | 2310070 | Imma (74) | ✔ | 6 | 64 | 3 | 0.0 | 0.035 | 0.506 | (1;000) | ✗ | 05/01/17 |
NaGeAu | ICSD | 78866 | Im2m (44) | ✗ | 6 | 48 | 3 | 0.0 | 0.004 | 0.703 | (1;000) | ✔ | 06/10/16 |
ScGeAu | ICSD | 81733 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.001 | 0.154 | (0;000) | ✔ | 06/10/16 |
GeS2 | ICSD | 167194 | I-42d (122) | ✗ | 6 | 32 | 3 | 2.3808 | 2.735 | 0.000 | (0;000) | ✗ | 06/10/16 |
YGeAu | ICSD | 405323 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.020 | 0.132 | (1;000) | ✔ | 06/10/16 |
YGeAu | ICSD | 656878 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.015 | 0.132 | (1;000) | ✔ | 06/10/16 |
SrH2 | COD | 1010560 | Imma (74) | ✔ | 6 | 24 | 1 | 0.1164 | 0.543 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrH2 | COD | 9009206 | Cmcm (63) | ✔ | 6 | 24 | 1 | 2.3564 | 2.991 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaAg2 | COD | 1509675 | Fd-3m (227) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.654 | (0;000) | ✗ | 05/01/17 |
ScSiAu | ICSD | 71998 | P-6m2 (187) | ✗ | 6 | 52 | 3 | 0.0 | 0.035 | 0.194 | (0;000) | ✔ | 06/10/16 |
YSiAu | ICSD | 72000 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.007 | 0.176 | (0;000) | ✔ | 06/10/16 |
Ag2O | COD | 1010604 | Pn-3m (224) | ✔ | 6 | 56 | 3 | 0.0 | 0.003 | 0.004 | (0;000) | ✗ | 05/01/17 |
VAs2 | ICSD | 611574 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.020 | 0.148 | (0;111) | ✔ | 05/01/17 |
YSnAu | ICSD | 415826 | P6_3mc (186) | ✗ | 6 | 72 | 3 | 0.0 | 0.014 | 0.191 | (1;000) | ✔ | 28/10/16 |
GeSe2 | ICSD | 50761 | I-42d (122) | ✗ | 6 | 32 | 3 | 1.4346 | 1.788 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrAg2 | COD | 1509720 | Imma (74) | ✔ | 6 | 64 | 3 | 0.0 | 0.004 | 0.482 | (0;000) | ✗ | 05/01/17 |
NaSnP | ICSD | 409010 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.5734 | 1.173 | 0.000 | (0;000) | ✗ | 06/10/16 |
In2Bi | ICSD | 1247 | Ccmm (63) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.715 | (0;000) | ✗ | 06/10/16 |
TlAg3Te2 | COD | 2105385 | Cmmm (65) | ✔ | 6 | 58 | 3 | 0.0 | 0.086 | 0.463 | (1;000) | ✗ | 05/01/17 |
BaAgAs | COD | 7209304 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.020 | 0.007 | (1;000) | ✗ | 05/01/17 |
SrAgAs | COD | 7209311 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.003 | 0.007 | (1;000) | ✗ | 05/01/17 |
GeSe2 | ICSD | 90956 | I-4 (82) | ✗ | 6 | 32 | 3 | 0.9941 | 1.393 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ge2Os | ICSD | 43690 | C2/m (12) | ✔ | 6 | 48 | 3 | 0.0 | 0.314 | 0.057 | (0;000) | ✔ | 27/01/17 |
BPO4 | ICSD | 150371 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.5837 | 7.792 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaAgBi | COD | 1509219 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.157 | 0.393 | (1;000) | ✗ | 05/01/17 |
BPO4 | ICSD | 150372 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6086 | 7.820 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaAgBi | COD | 2200912 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.003 | 0.161 | (1;000) | ✗ | 05/01/17 |
La2Bi | ICSD | 616761 | I4/mmm (139) | ✔ | 6 | 22 | 3 | 0.0 | 0.006 | 0.576 | (1;111) | ✗ | 06/10/16 |
BPO4 | ICSD | 150373 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6292 | 7.819 | 0.000 | (0;000) | ✗ | 06/10/16 |
BPO4 | ICSD | 150374 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6752 | 7.855 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaAgP | COD | 7209317 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.1741 | 0.383 | 0.000 | (0;000) | ✗ | 05/01/17 |
BPO4 | ICSD | 150375 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6708 | 7.835 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaAgSb | ICSD | 56981 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.223 | 0.085 | (0;000) | ✗ | 05/01/17 |
BaAgSb | COD | 1509224 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.052 | 0.465 | (1;000) | ✗ | 05/01/17 |
BPO4 | ICSD | 150376 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6811 | 7.826 | 0.000 | (0;000) | ✗ | 06/10/16 |
Be2Ag | COD | 1509229 | Fd-3m (227) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.446 | (0;000) | ✗ | 05/01/17 |
BPO4 | ICSD | 150377 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.7013 | 7.833 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaAgBi | ICSD | 659377 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.014 | 0.193 | (1;000) | ✗ | 05/01/17 |
BPO4 | ICSD | 150378 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6596 | 7.782 | 0.000 | (0;000) | ✗ | 06/10/16 |
BPO4 | ICSD | 150379 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6826 | 7.789 | 0.000 | (0;000) | ✗ | 06/10/16 |
Hf2Ni | COD | 1524523 | I4/mcm (140) | ✔ | 6 | 68 | 3 | 0.0 | 0.007 | 0.154 | (1;111) | ✗ | 27/01/17 |
SrAgBi | COD | 1509243 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.010 | 0.147 | (1;000) | ✗ | 05/01/17 |
BPO4 | ICSD | 150380 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6841 | 7.769 | 0.000 | (0;000) | ✗ | 06/10/16 |
CrP2 | ICSD | 2526 | C2/m (12) | ✔ | 6 | 48 | 3 | 0.0 | 0.029 | 0.247 | (0;000) | ✔ | 27/01/17 |
Hf2S | ICSD | 43203 | P6_3/mmc (194) | ✔ | 6 | 60 | 3 | 0.0 | 0.002 | 0.476 | (0;000) | ✗ | 27/01/17 |
Hf2Si | ICSD | 42523 | I4/mcm (140) | ✔ | 6 | 56 | 3 | 0.0 | 0.011 | 0.330 | (1;000) | ✗ | 27/01/17 |
BPO4 | ICSD | 26890 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.4923 | 7.703 | 0.000 | (0;000) | ✗ | 06/10/16 |
BPO4 | ICSD | 413437 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.731 | 7.958 | 0.000 | (0;000) | ✗ | 06/10/16 |
BPO4 | ICSD | 55082 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.5989 | 7.822 | 0.000 | (0;000) | ✗ | 06/10/16 |
ReGe2 | ICSD | 637671 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.117 | 0.344 | (0;111) | ✔ | 27/01/17 |
BPO4 | ICSD | 55083 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6318 | 7.848 | 0.000 | (0;000) | ✗ | 06/10/16 |
BPS4 | ICSD | 24618 | I222 (23) | ✗ | 6 | 32 | 1 | 1.1178 | 1.383 | 0.000 | (0;000) | ✗ | 06/10/16 |
CrWO4 | ICSD | 8269 | Cmmm (65) | ✔ | 6 | 52 | 3 | 0.0 | 0.036 | 0.669 | (0;110) | ✗ | 27/01/17 |
HfMo2 | COD | 1522747 | Fd-3m (227) | ✔ | 6 | 80 | 3 | 0.0 | 0.000 | 0.691 | (0;000) | ✗ | 27/01/17 |
CuAgSe | COD | 9008069 | Pmmn (59) | ✔ | 6 | 56 | 3 | 0.0 | 0.058 | 0.080 | (1;000) | ✗ | 05/01/17 |
CuAgS | COD | 8103391 | Cmcm (63) | ✔ | 6 | 56 | 3 | 0.4708 | 0.549 | 0.000 | (0;000) | ✗ | 05/01/17 |
HfNi2 | COD | 1522692 | Fd-3m (227) | ✔ | 6 | 64 | 3 | 0.0 | 0.004 | 0.403 | (0;000) | ✗ | 27/01/17 |
AgF2 | COD | 1509319 | P2_1/c (14) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.402 | (0;000) | ✗ | 05/01/17 |
In2Ag | COD | 1509415 | I4/mcm (140) | ✔ | 6 | 74 | 3 | 0.0 | 0.000 | 0.848 | (1;111) | ✗ | 05/01/17 |
KAgSe | COD | 1509424 | P4/nmm (129) | ✔ | 6 | 52 | 2 | 0.4259 | 0.426 | 0.000 | (0;000) | ✗ | 05/01/17 |
MgAgSb | ICSD | 187150 | P4/nmm (129) | ✔ | 6 | 52 | 3 | 0.0 | 0.009 | 0.235 | (1;000) | ✗ | 05/01/17 |
HgI2 | ICSD | 22242 | Ccm2_1 (36) | ✗ | 6 | 52 | 2 | 1.8395 | 1.994 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr2Bi | ICSD | 41836 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.035 | 0.055 | (0;111) | ✗ | 06/10/16 |
SrAgP | COD | 7209350 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.1954 | 0.195 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrAgSb | COD | 1509533 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.022 | 0.362 | (1;000) | ✗ | 05/01/17 |
CrO2 | COD | 1516110 | P4_2/mnm (136) | ✔ | 6 | 52 | 3 | 0.0 | 0.001 | 0.616 | (0;000) | ✗ | 27/01/17 |
Bi2Pd | ICSD | 42565 | C2/m (12) | ✔ | 6 | 80 | 3 | 0.0 | 0.126 | 0.692 | (1;000) | ✔ | 06/10/16 |
HgO | ICSD | 24062 | P3_121 (152) | ✗ | 6 | 54 | 3 | 1.2097 | 1.356 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbCrN | COD | 1528599 | P4/nmm (129) | ✔ | 6 | 64 | 3 | 0.0 | 0.010 | 0.490 | (0;001) | ✗ | 27/01/17 |