▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
YCBr | ICSD | 78871 | C2/m (12) | ✔ | 6 | 44 | 2 | 0.0 | 0.017 | 0.505 | (0;000) | ✗ | 27/01/17 |
SrLi3MnN3 | ICSD | 412874 | R-3 (148) | ✔ | 16 | 98 | 2 | 0.0 | 0.056 | 0.035 | (0;000) | ✗ | 27/01/17 |
Fe3Se4 | ICSD | 633484 | C2/m (12) | ✔ | 7 | 48 | 2 | 0.0 | 0.012 | 0.755 | (0;111) | ✗ | 27/01/17 |
Ga2FeS4 | COD | 1524268 | P-3m1 (164) | ✔ | 7 | 58 | 2 | 0.2722 | 0.428 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(FeP)2 | ICSD | 54407 | I4/mmm (139) | ✔ | 5 | 36 | 2 | 0.0 | 0.011 | 0.570 | (1;111) | ✗ | 27/01/17 |
FeSe | ICSD | 53543 | P4/mmm (123) | ✔ | 2 | 14 | 2 | 0.0 | 0.001 | 0.695 | (0;110) | ✗ | 27/01/17 |
LiBC | ICSD | 245288 | P6_3/mmc (194) | ✔ | 6 | 20 | 2 | 0.87 | 1.372 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaFeF3 | COD | 4341415 | Cmcm (63) | ✔ | 10 | 76 | 2 | 0.5613 | 0.591 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrHgO2 | ICSD | 165068 | R-3m (166) | ✔ | 4 | 34 | 2 | 1.9967 | 2.621 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(CdSb)2 | COD | 7221362 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.015 | 0.080 | (0;000) | ✗ | 27/01/17 |
In2Se3 | ICSD | 602266 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.470 | 0.035 | (0;000) | ✗ | 27/01/17 |
LiInSe2 | ICSD | 56531 | R-3m (166) | ✔ | 4 | 28 | 2 | 0.1689 | 0.417 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2IrO3 | ICSD | 187130 | C2/m (12) | ✔ | 12 | 106 | 2 | 0.0175 | 0.055 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaIrO3 | ICSD | 261371 | Cmcm (63) | ✔ | 10 | 88 | 2 | 0.0 | 0.011 | 0.327 | (0;000) | ✗ | 27/01/17 |
Li3Zn2SbO6 | ICSD | 69189 | C2/m (12) | ✔ | 12 | 74 | 2 | 2.6662 | 2.802 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2ZnSi | ICSD | 642380 | P-3m1 (164) | ✔ | 8 | 44 | 2 | 0.0 | 0.016 | 0.354 | (1;000) | ✗ | 27/01/17 |
CdPb2(ClO)2 | ICSD | 168248 | C2/m (12) | ✔ | 7 | 66 | 2 | 2.2796 | 2.404 | 0.000 | (0;000) | ✗ | 27/01/17 |
CdCl2 | COD | 9009125 | R-3m (166) | ✔ | 3 | 26 | 2 | 3.401 | 3.597 | 0.000 | (0;000) | ✗ | 27/01/17 |
CrI2 | ICSD | 23892 | C2/m (12) | ✔ | 3 | 28 | 2 | 0.0 | 0.052 | 0.341 | (0;000) | ✔ | 06/10/16 |
Te2W | ICSD | 653170 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.5587 | 0.848 | 0.000 | (0;000) | ✗ | 06/10/16 |
YTe3 | ICSD | 653175 | Cmcm (63) | ✔ | 8 | 58 | 2 | 0.0 | 0.000 | 0.971 | (1;000) | ✗ | 02/02/17 |
AgI | ICSD | 28230 | P4/nmm (129) | ✔ | 4 | 36 | 2 | 1.0238 | 1.024 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrTe5 | ICSD | 85506 | Cmcm (63) | ✔ | 12 | 68 | 2 | 0.0 | 0.041 | 0.021 | (1;110) | ✗ | 02/02/17 |
RbScO2 | ICSD | 31960 | P6_3/mmc (194) | ✔ | 8 | 64 | 2 | 3.3665 | 3.766 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rb2PbO3 | ICSD | 1413 | Cmc2_1 (36) | ✗ | 12 | 100 | 2 | 0.8375 | 0.838 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li8PbO6 | COD | 1525399 | R-3 (148) | ✔ | 15 | 74 | 2 | 2.5919 | 2.632 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li8PtO6 | ICSD | 61218 | R-3 (148) | ✔ | 15 | 70 | 2 | 2.2729 | 2.273 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaAlH2CO5 | ICSD | 100140 | Imma (74) | ✔ | 20 | 96 | 2 | 5.0073 | 5.163 | 0.000 | (0;000) | ✗ | 27/01/17 |
CuAgTe2 | ICSD | 42482 | Pmm2 (25) | ✗ | 4 | 34 | 2 | 0.0 | 0.001 | 0.916 | (1;000) | ✔ | 05/12/16 |
Sb2Te4Pb | ICSD | 250250 | R-3m (166) | ✔ | 7 | 48 | 2 | 0.1535 | 0.154 | 0.000 | (1;111) | ✗ | 02/02/17 |
CuI | ICSD | 84217 | P3m1 (156) | ✗ | 4 | 36 | 2 | 1.3365 | 1.337 | 0.000 | (0;000) | ✗ | 06/10/16 |
Tl3SbS3 | ICSD | 603664 | R3m (160) | ✗ | 7 | 62 | 2 | 1.0866 | 0.290 | 1.000 | (0;000) | ✗ | 06/10/16 |
CuP2 | ICSD | 35282 | P2_1/c (14) | ✔ | 12 | 84 | 2 | 0.8655 | 0.866 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sb2TeSe2 | ICSD | 60963 | R3m (160) | ✗ | 5 | 28 | 2 | 0.2074 | 0.207 | 0.000 | (1;000) | ✔ | 06/10/16 |
LiMnP | ICSD | 26458 | P4/nmm (129) | ✔ | 6 | 46 | 2 | 0.0 | 0.000 | 0.847 | (0;001) | ✗ | 27/01/17 |
LiMnSb | ICSD | 642150 | P4/nmm (129) | ✔ | 6 | 46 | 2 | 0.0 | 0.000 | 0.877 | (1;000) | ✗ | 27/01/17 |
LiMoO2 | ICSD | 165326 | C2/m (12) | ✔ | 8 | 58 | 2 | 0.0 | 0.023 | 0.825 | (0;111) | ✗ | 27/01/17 |
LiNbO2 | COD | 1008671 | P6_3/mmc (194) | ✔ | 8 | 56 | 2 | 1.5916 | 1.592 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2ZrO3 | ICSD | 67345 | Cmcm (63) | ✔ | 12 | 80 | 2 | 3.7167 | 3.717 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrTiTe4 | ICSD | 40496 | P2/m (10) | ✔ | 6 | 40 | 2 | 0.0 | 0.018 | 0.262 | (1;010) | ✗ | 27/01/17 |
MoO3 | COD | 9014987 | Pnma (62) | ✔ | 16 | 128 | 2 | 2.2396 | 3.008 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbBr3 | COD | 1527261 | P2_12_12_1 (19) | ✗ | 16 | 104 | 2 | 2.6249 | 2.908 | 0.000 | (0;000) | ✗ | 21/03/17 |
IBrO | COD | 9009193 | Pmmn (59) | ✔ | 6 | 40 | 2 | 0.0 | 0.022 | 0.474 | (0;000) | ✗ | 21/03/17 |
FeI2 | COD | 9009103 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.257 | 0.282 | 0.000 | (0;000) | ✗ | 22/03/17 |
MnTlI3 | ICSD | 26421 | Pnma (62) | ✔ | 20 | 196 | 2 | 0.0 | 0.000 | 0.258 | (0;011) | ✗ | 29/03/17 |
BaCa(CO3)2 | COD | 1010917 | P2_1 (4) | ✗ | 20 | 128 | 2 | 2.6308 | 2.662 | 0.000 | (0;000) | ✗ | 21/03/17 |
Cs3Sb2I9 | COD | 1520793 | P-3m1 (164) | ✔ | 14 | 100 | 2 | 1.2671 | 1.279 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCd4As3 | ICSD | 262029 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.2198 | 0.220 | 0.000 | (0;000) | ✗ | 07/04/17 |
BaHgS2 | COD | 4342638 | Pmc2_1 (26) | ✗ | 16 | 136 | 2 | 1.2035 | 1.237 | 0.000 | (0;000) | ✗ | 21/03/17 |
CS14 | ICSD | 26464 | R-3m (166) | ✔ | 15 | 88 | 2 | 2.3303 | 2.487 | 0.000 | (0;000) | ✗ | 02/02/17 |