▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BeTe | ICSD | 183375 | F-43m (216) | ✗ | 2 | 10 | 1 | 1.572 | 3.253 | 0.000 | (0;000) | ✗ | 06/10/16 |
FeTe2 | ICSD | 42727 | P2nn (34) | ✗ | 6 | 40 | 3 | 0.0 | 0.598 | 0.025 | (0;000) | ✔ | 06/10/16 |
ZrRu3C | ICSD | 77282 | Pm-3m (221) | ✔ | 5 | 56 | 3 | 0.0 | 0.001 | 0.588 | (1;111) | ✗ | 27/01/17 |
Cs2KCuF6 | ICSD | 59102 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 0.0 | 0.000 | 0.519 | (0;000) | ✗ | 27/01/17 |
Cs2HgF4 | ICSD | 72353 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 2.1116 | 3.524 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2MnF5 | ICSD | 69675 | P4/mmm (123) | ✔ | 8 | 68 | 1 | 0.0 | 0.052 | 0.625 | (0;000) | ✗ | 27/01/17 |
LiB | ICSD | 236961 | Pbmm (51) | ✔ | 8 | 24 | 2 | 0.0 | 0.004 | 0.395 | (0;001) | ✗ | 06/10/16 |
Cs2HfF6 | ICSD | 25600 | P-3m1 (164) | ✔ | 9 | 72 | 1 | 6.6489 | 6.683 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2NaInF6 | ICSD | 24921 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 6.0369 | 6.086 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2KMnF6 | ICSD | 91037 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 0.0189 | 0.052 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2KRhF6 | ICSD | 4056 | Fm-3m (225) | ✔ | 10 | 86 | 1 | 2.0433 | 2.043 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2KVF6 | ICSD | 27344 | Fm-3m (225) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.464 | (0;000) | ✗ | 27/01/17 |
Cs2NaMnF6 | ICSD | 37005 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 0.0133 | 0.050 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2NaScF6 | ICSD | 55694 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 6.8514 | 6.862 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2NaTlF6 | ICSD | 22118 | Fm-3m (225) | ✔ | 10 | 82 | 1 | 4.2365 | 4.237 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2NaYF6 | ICSD | 25368 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 7.0911 | 7.091 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2NiF6 | ICSD | 44789 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.9892 | 2.072 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2PdF6 | ICSD | 28674 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 2.4653 | 2.524 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2PtF6 | ICSD | 35107 | P-3m1 (164) | ✔ | 9 | 70 | 1 | 2.6133 | 2.633 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2PtF6 | ICSD | 78955 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 2.7742 | 2.796 | 0.000 | (0;000) | ✗ | 27/01/17 |
BAsO4 | ICSD | 26891 | I-4 (82) | ✗ | 6 | 32 | 3 | 5.3758 | 5.789 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs2SnF6 | ICSD | 281 | P-3m1 (164) | ✔ | 9 | 74 | 1 | 6.1011 | 6.101 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2TlVF6 | ICSD | 27343 | Fm-3m (225) | ✔ | 10 | 86 | 3 | 0.0 | 0.000 | 0.144 | (0;000) | ✗ | 27/01/17 |
Cs2ZrF6 | ICSD | 25598 | P-3m1 (164) | ✔ | 9 | 64 | 1 | 5.9073 | 5.910 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2HgO2 | ICSD | 25513 | I4/mmm (139) | ✔ | 5 | 42 | 2 | 1.9742 | 1.974 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2NiO2 | ICSD | 423923 | I4/mmm (139) | ✔ | 5 | 40 | 1 | 0.0 | 0.030 | 0.744 | (0;000) | ✗ | 27/01/17 |
RbMnTe2 | ICSD | 87984 | I-4m2 (119) | ✗ | 4 | 36 | 2 | 0.0 | 0.003 | 0.593 | (1;010) | ✔ | 07/10/16 |
NaPN2 | ICSD | 411818 | I-42d (122) | ✗ | 8 | 48 | 3 | 4.7455 | 4.887 | 0.000 | (0;000) | ✗ | 07/10/16 |
Ta2CS2 | ICSD | 23790 | P-3m1 (164) | ✔ | 5 | 42 | 2 | 0.0 | 0.028 | 0.262 | (1;001) | ✗ | 27/01/17 |
Ta2CS2 | ICSD | 23791 | R-3m (166) | ✔ | 5 | 42 | 2 | 0.0 | 0.045 | 0.371 | (1;111) | ✗ | 27/01/17 |
Cs3Sb | ICSD | 53243 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.8638 | 0.999 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sc2C | ICSD | 280743 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 0.0 | 0.001 | 0.283 | (1;001) | ✗ | 27/01/17 |
Sc3TlC | ICSD | 50164 | Pm-3m (221) | ✔ | 5 | 50 | 3 | 0.0 | 0.000 | 0.059 | (1;000) | ✗ | 27/01/17 |
CsCu3O2 | ICSD | 413342 | P-3m1 (164) | ✔ | 6 | 54 | 2 | 1.5592 | 1.641 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsCu3S2 | ICSD | 23326 | P-3m1 (164) | ✔ | 6 | 54 | 2 | 1.6265 | 2.016 | 0.000 | (0;000) | ✗ | 27/01/17 |
BAsO4 | ICSD | 413438 | I-4 (82) | ✗ | 6 | 32 | 3 | 5.1922 | 5.671 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsCuO | ICSD | 40161 | Cmcm (63) | ✔ | 6 | 52 | 3 | 1.0614 | 1.065 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsHF2 | ICSD | 45858 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 6.638 | 6.638 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsFeF3 | ICSD | 49583 | Pm-3m (221) | ✔ | 5 | 38 | 3 | 0.0 | 0.090 | 0.648 | (0;000) | ✗ | 27/01/17 |
Na6PbO5 | ICSD | 15102 | I4mm (107) | ✗ | 12 | 98 | 1 | 1.4651 | 1.529 | 0.000 | (0;000) | ✗ | 07/10/16 |
CsNiF3 | ICSD | 410394 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.001 | 0.900 | (0;000) | ✗ | 27/01/17 |
Rb3NbO8 | ICSD | 407327 | I-42m (121) | ✗ | 12 | 88 | 1 | 3.0135 | 3.184 | 0.000 | (0;000) | ✗ | 07/10/16 |
BMo | ICSD | 191907 | Cmcm (63) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.777 | (0;110) | ✗ | 06/10/16 |
CsSrF3 | ICSD | 49578 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 6.5311 | 6.531 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsNbF6 | ICSD | 412444 | R-3 (148) | ✔ | 8 | 64 | 1 | 5.9823 | 6.038 | 0.000 | (0;000) | ✗ | 27/01/17 |
B2AsP | ICSD | 181293 | P-4m2 (115) | ✗ | 4 | 16 | 3 | 1.104 | 1.257 | 0.000 | (0;000) | ✗ | 06/10/16 |
Si3NiP4 | ICSD | 39452 | I-42m (121) | ✗ | 8 | 42 | 3 | 0.3269 | 0.532 | 0.000 | (0;000) | ✔ | 07/10/16 |
CsFeO2 | ICSD | 421173 | Fd-3m (227) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.275 | (0;000) | ✗ | 27/01/17 |
SrSi3Ni | ICSD | 174268 | I4mm (107) | ✗ | 5 | 32 | 3 | 0.0 | 0.039 | 0.440 | (0;111) | ✔ | 07/10/16 |
BaLiAs | ICSD | 56445 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.4512 | 0.451 | 0.000 | (0;000) | ✔ | 06/10/16 |
Rb3TaO8 | ICSD | 150280 | I-42m (121) | ✗ | 12 | 88 | 1 | 2.9156 | 3.105 | 0.000 | (0;000) | ✗ | 07/10/16 |
Cs | ICSD | 109023 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.0 | 0.027 | 0.689 | (1;000) | ✗ | 27/01/17 |
Cs | ICSD | 173930 | Pbcm (57) | ✔ | 4 | 36 | 3 | 0.0 | 0.004 | 0.757 | (1;100) | ✗ | 27/01/17 |
CsK2Sb | ICSD | 53237 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.9783 | 0.978 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs | ICSD | 150187 | I4_1/amd (141) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.599 | (1;111) | ✗ | 27/01/17 |
ZnSiP2 | ICSD | 191069 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.3437 | 1.344 | 0.000 | (0;000) | ✗ | 07/10/16 |
CsNbN2 | ICSD | 72546 | Fd-3m (227) | ✔ | 8 | 64 | 3 | 1.8404 | 1.853 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsN3 | ICSD | 25008 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 4.2572 | 4.296 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsNaTiO3 | ICSD | 78752 | Cmcm (63) | ✔ | 12 | 96 | 3 | 3.5344 | 3.588 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsNaS | ICSD | 41323 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.5959 | 2.748 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe3Se4 | ICSD | 15043 | C2/m (12) | ✔ | 7 | 48 | 3 | 0.0 | 0.011 | 0.357 | (0;000) | ✔ | 06/10/16 |
BN | ICSD | 162876 | Pmnb (62) | ✔ | 8 | 32 | 3 | 5.9754 | 6.508 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsSb(PO4)2 | ICSD | 202813 | P-3 (147) | ✔ | 12 | 72 | 2 | 3.6081 | 3.731 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsV(SO4)2 | ICSD | 73736 | P-3 (147) | ✔ | 12 | 82 | 2 | 0.0 | 0.024 | 0.435 | (0;000) | ✗ | 27/01/17 |
CoNiAs | ICSD | 610094 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.345 | ? | ✗ | 06/10/16 |
ZnSnP2 | ICSD | 184466 | I-42d (122) | ✗ | 8 | 72 | 3 | 1.1304 | 1.130 | 0.000 | (0;000) | ✗ | 07/10/16 |
ZnSnSb2 | ICSD | 42669 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.007 | 0.020 | (1;000) | ✔ | 07/10/16 |
CoAsS | ICSD | 36395 | P2_1 (4) | ✗ | 6 | 40 | 3 | 0.0 | 0.596 | 0.136 | (0;000) | ✔ | 06/10/16 |
CrWN2 | ICSD | 84639 | R3m (160) | ✗ | 4 | 38 | 3 | 0.0 | 0.022 | 1.000 | (1;110) | ✔ | 05/12/16 |
BiAsO4 | ICSD | 30636 | I4_1/a (88) | ✔ | 12 | 88 | 3 | 2.5964 | 2.603 | 0.000 | (0;000) | ✗ | 29/11/16 |
NbB | ICSD | 191899 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.026 | 0.365 | (1;000) | ✗ | 06/10/16 |
Ti2C | ICSD | 77473 | Fd-3m (227) | ✔ | 12 | 112 | 3 | 0.0 | 0.012 | 0.367 | (0;000) | ✗ | 27/01/17 |
Ti2TlC | ICSD | 618954 | P6_3/mmc (194) | ✔ | 8 | 82 | 3 | 0.0 | 0.000 | 0.970 | (1;000) | ✗ | 27/01/17 |
Zr2TlC | ICSD | 618976 | P6_3/mmc (194) | ✔ | 8 | 50 | 3 | 0.0 | 0.000 | 0.968 | (0;000) | ✗ | 27/01/17 |
KCu2P2H3(O4F)2 | ICSD | 62646 | C2/m (12) | ✔ | 18 | 106 | 3 | 0.0 | 0.017 | 0.015 | (0;001) | ✗ | 27/01/17 |
FeCu2Sn | ICSD | 151206 | Fm-3m (225) | ✔ | 4 | 44 | 3 | 0.0 | 0.035 | 0.715 | (0;000) | ✗ | 27/01/17 |
GaCu2 | ICSD | 627392 | Imma (74) | ✔ | 6 | 70 | 3 | 0.0 | 0.000 | 0.496 | (0;011) | ✗ | 27/01/17 |
CoAsS | ICSD | 41757 | Pca2_1 (29) | ✗ | 12 | 80 | 3 | 0.9749 | 1.154 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr(CuGe)2 | ICSD | 627840 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.016 | 0.796 | (0;000) | ✗ | 27/01/17 |
CoBiO3 | ICSD | 247466 | P4mm (99) | ✗ | 5 | 50 | 2 | 0.0 | 0.014 | 0.494 | (1;000) | ✔ | 29/11/16 |
Hf(CuP)2 | ICSD | 53287 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 0.0 | 0.001 | 0.174 | (1;000) | ✗ | 27/01/17 |
InCu2 | ICSD | 657611 | P6_3/mmc (194) | ✔ | 6 | 70 | 3 | 0.0 | 0.000 | 0.652 | (1;000) | ✗ | 27/01/17 |
LiBiF4 | ICSD | 65404 | I4_1/a (88) | ✔ | 12 | 92 | 3 | 4.0319 | 4.162 | 0.000 | (0;000) | ✗ | 05/01/17 |
CoAsS | ICSD | 41758 | Pca2_1 (29) | ✗ | 12 | 80 | 3 | 0.9695 | 1.147 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrGeO4 | ICSD | 29262 | I4_1/a (88) | ✔ | 12 | 64 | 3 | 3.8336 | 4.048 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2Cu2TeO6 | ICSD | 189655 | C2/m (12) | ✔ | 11 | 70 | 2 | 0.0428 | 0.107 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiY(CuP)2 | ICSD | 628287 | P-3m1 (164) | ✔ | 6 | 46 | 3 | 0.0 | 0.370 | 0.150 | (0;000) | ✗ | 27/01/17 |
LiCu2P | ICSD | 628282 | P-3m1 (164) | ✔ | 8 | 60 | 2 | 0.0 | 0.001 | 0.184 | (1;000) | ✗ | 27/01/17 |
LiCu2Sn | ICSD | 150602 | P6_3/mmc (194) | ✔ | 8 | 78 | 3 | 0.0 | 0.000 | 0.791 | (0;000) | ✗ | 27/01/17 |
LiGe2N3 | ICSD | 636887 | Ccm2_1 (36) | ✗ | 12 | 52 | 3 | 1.5113 | 1.513 | 0.000 | (0;000) | ✗ | 29/11/16 |
MoBr3 | ICSD | 9422 | Cm2m (38) | ✗ | 8 | 70 | 1 | 0.0 | 0.011 | 0.407 | (0;110) | ✔ | 04/10/16 |
MnCu2Sb | ICSD | 53312 | Fm-3m (225) | ✔ | 4 | 42 | 3 | 0.0 | 0.025 | 0.543 | (0;000) | ✗ | 27/01/17 |
MoP4 | ICSD | 105057 | C2/c (15) | ✔ | 10 | 68 | 2 | 0.0 | 0.019 | 0.126 | (1;000) | ✔ | 04/10/16 |
Na2Zr(CuS2)2 | ICSD | 79536 | C2/m (12) | ✔ | 9 | 68 | 1 | 0.0 | 0.012 | 0.006 | (1;000) | ✗ | 27/01/17 |
Na3Cu2SbO6 | ICSD | 153037 | C2/m (12) | ✔ | 12 | 90 | 2 | 0.0 | 0.029 | 0.015 | (0;000) | ✗ | 27/01/17 |
SiCu2NiS4 | ICSD | 628554 | P2/m (10) | ✔ | 8 | 60 | 3 | 0.0 | 0.006 | 0.578 | (1;011) | ✗ | 27/01/17 |
AlN | ICSD | 181066 | F-43m (216) | ✗ | 2 | 8 | 3 | 3.3052 | 4.020 | 0.000 | (0;000) | ✗ | 06/10/16 |
Be3N2 | ICSD | 185490 | R3m (160) | ✗ | 5 | 22 | 1 | 2.7756 | 3.816 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cu2PbO2 | ICSD | 400657 | C2/c (15) | ✔ | 10 | 96 | 3 | 0.7561 | 0.900 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2ZnCu2(SO)2 | ICSD | 84735 | I4/mmm (139) | ✔ | 9 | 78 | 3 | 0.6692 | 1.036 | 0.000 | (0;000) | ✗ | 27/01/17 |