▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
K4CdAs2 | COD | 1008853 | R-3m (166) | ✔ | 7 | 58 | 1 | 0.6689 | 0.691 | 0.000 | (0;000) | ✗ | 30/01/17 |
OsSe2 | COD | 9012407 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.0681 | 0.199 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2P3 | ICSD | 65185 | Fmmm (69) | ✔ | 10 | 66 | 1 | 0.8432 | 0.843 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2GeSe3 | ICSD | 415215 | C2/m (12) | ✔ | 12 | 80 | 1 | 1.7854 | 1.887 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2TeBr6 | ICSD | 65058 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.8801 | 2.124 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdPt(CN)6 | COD | 4100926 | Fm-3m (225) | ✔ | 14 | 76 | 3 | 5.4883 | 5.640 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cd2Ru(CN)6 | ICSD | 417822 | P-3 (147) | ✔ | 15 | 94 | 3 | 2.2762 | 2.276 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaC4N3 | ICSD | 31926 | P-1 (2) | ✔ | 16 | 80 | 1 | 3.6724 | 3.698 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca3N2 | ICSD | 162794 | C2/m (12) | ✔ | 15 | 120 | 1 | 1.3801 | 1.440 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2PAuS4 | ICSD | 85679 | P2_1/m (11) | ✔ | 16 | 116 | 2 | 1.308 | 1.308 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca3SnH2 | ICSD | 165615 | Cmcm (63) | ✔ | 12 | 92 | 1 | 0.133 | 0.133 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaZnF3 | ICSD | 69349 | Pnma (62) | ✔ | 20 | 168 | 3 | 3.8293 | 3.829 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbAg3S2 | ICSD | 1034 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.2691 | 0.292 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2SiAs2 | ICSD | 40426 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.0103 | 1.409 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsBr3 | ICSD | 22130 | Pnma (62) | ✔ | 16 | 120 | 1 | 2.1955 | 2.251 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbTeRu | ICSD | 650595 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.3289 | 0.592 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ag2HgS2 | COD | 9009717 | P2_1/c (14) | ✔ | 10 | 92 | 3 | 0.5114 | 0.511 | 0.000 | (0;000) | ✗ | 30/01/17 |
Sr2InSbO6 | ICSD | 154032 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 2.0189 | 2.019 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca4TiN4 | COD | 1528590 | P-1 (2) | ✔ | 18 | 144 | 1 | 1.5561 | 1.680 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsAg3S2 | COD | 1509993 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.4373 | 0.437 | 0.000 | (0;000) | ✗ | 30/01/17 |
BaZrF6 | ICSD | 36122 | Cmme (67) | ✔ | 16 | 112 | 1 | 6.4655 | 6.524 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Sn2Hg3S8 | ICSD | 85598 | P-1 (2) | ✔ | 15 | 130 | 1 | 1.743 | 1.786 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na5InO4 | ICSD | 69630 | Pmmn (59) | ✔ | 20 | 164 | 1 | 1.8792 | 1.879 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta2FeO6 | COD | 9012189 | P4_2/mnm (136) | ✔ | 18 | 140 | 3 | 0.1708 | 0.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiO2 | COD | 9006286 | Pna2_1 (33) | ✗ | 12 | 64 | 3 | 5.693 | 5.821 | 0.000 | (0;000) | ✗ | 15/02/17 |
TlPAuSe3 | COD | 4000517 | C2/m (12) | ✔ | 12 | 94 | 1 | 0.8936 | 1.034 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNaTe | ICSD | 67276 | Pnma (62) | ✔ | 12 | 96 | 1 | 1.7998 | 1.800 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2ZrSe3 | ICSD | 412158 | C2/m (12) | ✔ | 12 | 80 | 2 | 1.0681 | 1.371 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2HgPdCl6 | ICSD | 36616 | I4/mmm (139) | ✔ | 10 | 90 | 2 | 1.417 | 1.502 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsLiCl2 | ICSD | 423634 | C2/c (15) | ✔ | 16 | 104 | 1 | 5.3881 | 5.388 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbVO3 | COD | 1527492 | Pbcm (57) | ✔ | 20 | 160 | 1 | 3.1717 | 3.195 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr3(AlP2)2 | ICSD | 409134 | C2/c (15) | ✔ | 18 | 112 | 2 | 1.3308 | 1.331 | 0.000 | (0;000) | ✗ | 30/01/17 |
TlFeBr3 | ICSD | 36217 | Pnma (62) | ✔ | 20 | 168 | 1 | 0.2469 | 0.351 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlB(CN)4 | COD | 4308590 | I4_1/a (88) | ✔ | 20 | 104 | 1 | 5.027 | 5.031 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2SnBr6 | ICSD | 158956 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 1.2508 | 1.251 | 0.000 | (0;000) | ✗ | 02/02/17 |
K4BeP2 | ICSD | 300110 | R-3m (166) | ✔ | 7 | 50 | 1 | 1.1639 | 1.189 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNa2AuO2 | ICSD | 61226 | Pnnm (58) | ✔ | 12 | 100 | 1 | 1.9334 | 1.963 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr3(GaAs2)2 | ICSD | 423785 | C2/c (15) | ✔ | 18 | 152 | 2 | 0.6984 | 0.809 | 0.000 | (0;000) | ✗ | 30/01/17 |
KNO3 | COD | 9012754 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.0758 | 3.078 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi4RuBr2 | ICSD | 406951 | C2/m (12) | ✔ | 14 | 180 | 2 | 0.3607 | 0.457 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na6CdCl8 | ICSD | 35070 | Fm-3m (225) | ✔ | 15 | 122 | 2 | 3.4215 | 3.422 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2Sc2B4O11 | ICSD | 86435 | P-1 (2) | ✔ | 19 | 120 | 3 | 4.5568 | 4.606 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiI | ICSD | 44781 | P6_3/mmc (194) | ✔ | 4 | 20 | 1 | 3.3576 | 3.358 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ca(InS2)2 | COD | 9012322 | Fd-3m (227) | ✔ | 14 | 120 | 3 | 2.2045 | 2.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cd(InS2)2 | COD | 9012323 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 1.4147 | 1.507 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2InBrO3 | ICSD | 81878 | P4/nmm (129) | ✔ | 14 | 116 | 2 | 2.0352 | 2.422 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiBr3 | COD | 2019711 | C2/m (12) | ✔ | 8 | 50 | 1 | 4.0947 | 4.095 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3TcC4(N2O)2 | ICSD | 260824 | P-1 (2) | ✔ | 14 | 90 | 1 | 2.2512 | 2.257 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mg2BiPO6 | ICSD | 73894 | Cmcm (63) | ✔ | 20 | 152 | 3 | 3.4419 | 3.449 | 0.000 | (0;000) | ✗ | 02/02/17 |
Si | ICSD | 67775 | P6_3/mmc (194) | ✔ | 4 | 16 | 3 | 0.3357 | 1.061 | 0.000 | (0;000) | ✗ | 27/01/17 |