▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TlCO2 | COD | 4308986 | P2_1/c (14) | ✔ | 16 | 116 | 2 | 2.5146 | 2.589 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbBrF4 | ICSD | 65713 | I4/mcm (140) | ✔ | 12 | 88 | 2 | 3.8888 | 3.889 | 0.000 | (0;000) | ✗ | 02/02/17 |
K(SbSe2)2 | ICSD | 402886 | P-1 (2) | ✔ | 14 | 86 | 3 | 1.0916 | 1.375 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdHg2SO6 | ICSD | 413287 | P-1 (2) | ✔ | 20 | 156 | 3 | 1.5314 | 1.669 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb3YF6 | COD | 1529659 | I4/mmm (139) | ✔ | 10 | 80 | 1 | 4.4515 | 4.452 | 0.000 | (0;000) | ✗ | 02/02/17 |
InSn2I5 | ICSD | 151996 | I4/mcm (140) | ✔ | 16 | 152 | 3 | 0.9578 | 0.958 | 0.000 | (0;000) | ✗ | 02/02/17 |
YCl3 | COD | 1528118 | C2/m (12) | ✔ | 8 | 64 | 2 | 4.6408 | 4.771 | 0.000 | (0;000) | ✗ | 02/02/17 |
KRb2BiF6 | ICSD | 9387 | Fm-3m (225) | ✔ | 10 | 84 | 3 | 4.1293 | 4.131 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbTeAu | COD | 1510283 | Pmma (51) | ✔ | 6 | 52 | 1 | 0.7785 | 0.779 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsI3 | ICSD | 38169 | Pnma (62) | ✔ | 16 | 120 | 1 | 1.7324 | 1.753 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnPd(CN)4 | ICSD | 169759 | P4_2/mcm (132) | ✔ | 20 | 132 | 3 | 4.4419 | 4.446 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2NbCuSe4 | ICSD | 84305 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.6556 | 1.888 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCu2Cl3 | COD | 2310349 | Cmcm (63) | ✔ | 12 | 104 | 1 | 1.8641 | 1.864 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi2S3 | COD | 9007404 | Pnma (62) | ✔ | 20 | 192 | 3 | 0.6092 | 0.630 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs6Si2NiO8 | COD | 8100892 | P-1 (2) | ✔ | 17 | 120 | 3 | 1.1286 | 1.149 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2NaAl3F12 | COD | 1000164 | R-3m (166) | ✔ | 18 | 120 | 3 | 0.4217 | 0.565 | 0.000 | (0;000) | ✗ | 30/01/17 |
Sr2YTaO6 | COD | 2100266 | P2_1/c (14) | ✔ | 20 | 160 | 3 | 3.9094 | 3.944 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3MnF6 | COD | 4322721 | P2_1/c (14) | ✔ | 20 | 168 | 1 | 0.0114 | 0.032 | 0.000 | (0;000) | ✗ | 02/02/17 |
VAg2AsO6 | ICSD | 425757 | P-1 (2) | ✔ | 20 | 152 | 3 | 1.624 | 1.635 | 0.000 | (0;000) | ✗ | 30/01/17 |
SnClF | ICSD | 647 | Pnma (62) | ✔ | 12 | 112 | 2 | 3.2601 | 3.299 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuBiSCl2 | ICSD | 413289 | Cmcm (63) | ✔ | 10 | 92 | 2 | 0.319 | 0.337 | 0.000 | (0;000) | ✗ | 02/02/17 |
K5As2Au | COD | 1008878 | P6_3/mmc (194) | ✔ | 16 | 132 | 1 | 0.3454 | 0.345 | 0.000 | (0;000) | ✗ | 30/01/17 |
Y4OsBr4 | ICSD | 71513 | C2/c (15) | ✔ | 18 | 176 | 3 | 0.5556 | 0.589 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2FeWO6 | ICSD | 153430 | P2_1/c (14) | ✔ | 20 | 156 | 3 | 0.4533 | 0.457 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2ZnTe2 | ICSD | 420088 | Ibam (72) | ✔ | 10 | 84 | 1 | 1.8566 | 1.935 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaTlSe3 | ICSD | 415528 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.1437 | 0.210 | 0.000 | (0;000) | ✗ | 02/02/17 |
H4C4SO | COD | 2010884 | P-1 (2) | ✔ | 20 | 64 | 1 | 1.3594 | 1.421 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3As | COD | 1010293 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.0712 | 0.071 | 0.000 | (0;000) | ✗ | 30/01/17 |
SnGeS3 | COD | 9005509 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 1.3882 | 1.610 | 0.000 | (0;000) | ✗ | 02/02/17 |
KAlH2CO5 | ICSD | 153303 | Cmcm (63) | ✔ | 20 | 96 | 2 | 4.9809 | 4.988 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Li2SiO4 | ICSD | 33809 | P-1 (2) | ✔ | 18 | 104 | 2 | 4.1815 | 4.319 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2Bi2O5 | ICSD | 69864 | P2_1/c (14) | ✔ | 18 | 160 | 2 | 1.8699 | 2.004 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr3GaO4F | ICSD | 50734 | I4/mcm (140) | ✔ | 18 | 148 | 1 | 3.9186 | 4.088 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbAg3Te2 | COD | 1510038 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.2065 | 0.207 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cs2Pt | ICSD | 413241 | P6_3/mmc (194) | ✔ | 6 | 56 | 2 | 1.2769 | 1.369 | 0.000 | (0;000) | ✗ | 02/02/17 |
AlPNCl5 | ICSD | 391165 | P-1 (2) | ✔ | 16 | 96 | 1 | 4.4513 | 4.519 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ba(BrO3)2 | ICSD | 66035 | C2/c (15) | ✔ | 18 | 120 | 1 | 4.4622 | 4.477 | 0.000 | (0;000) | ✗ | 02/02/17 |
KSc(MoO4)2 | ICSD | 28019 | P-3m1 (164) | ✔ | 12 | 96 | 3 | 3.0812 | 3.081 | 0.000 | (0;000) | ✗ | 02/02/17 |
Al2ZnSe4 | ICSD | 609325 | Fd-3m (227) | ✔ | 14 | 84 | 3 | 1.4262 | 1.426 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cs2SiS3 | ICSD | 409176 | C2/m (12) | ✔ | 12 | 80 | 1 | 3.0578 | 3.089 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfTl2PbS4 | ICSD | 237509 | C2/c (15) | ✔ | 16 | 152 | 3 | 0.5954 | 1.532 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2LiYCl6 | ICSD | 65731 | Fm-3m (225) | ✔ | 10 | 74 | 2 | 4.9066 | 4.907 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdS2 | ICSD | 620305 | Pa3 (205) | ✔ | 12 | 96 | 3 | 0.6904 | 0.690 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs(BH)3 | ICSD | 65508 | Fm-3m (225) | ✔ | 14 | 42 | 2 | 4.0127 | 4.210 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2VCuS4 | ICSD | 84302 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.2635 | 1.533 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba4Na(BN2)3 | ICSD | 401210 | Im-3m (229) | ✔ | 14 | 88 | 1 | 2.0643 | 2.504 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaSiN2 | COD | 4311195 | Cmce (64) | ✔ | 16 | 96 | 1 | 3.0265 | 3.093 | 0.000 | (0;000) | ✗ | 02/02/17 |
KTa(BO3)2 | ICSD | 162214 | Pmn2_1 (31) | ✗ | 20 | 128 | 3 | 3.6016 | 3.946 | 0.000 | (0;000) | ✗ | 21/03/17 |
CS2NF5 | ICSD | 413754 | P-1 (2) | ✔ | 18 | 112 | 1 | 3.4262 | 3.430 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(CuSe)2 | COD | 1521194 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.4905 | 0.491 | 0.000 | (0;000) | ✗ | 02/02/17 |