▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CsSbS2 | COD | 1530125 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 1.8455 | 2.003 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbBH4 | COD | 4315653 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 6.0005 | 6.001 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs(TeO3)2 | COD | 4325436 | Fd-3m (227) | ✔ | 18 | 114 | 3 | 0.0 | 0.000 | 0.157 | (0;000) | ✗ | 02/02/17 |
GaBO3 | COD | 1520321 | R-3c (167) | ✔ | 10 | 68 | 3 | 4.3438 | 4.344 | 0.000 | (0;000) | ✗ | 05/01/17 |
FeB | COD | 1011336 | Pnma (62) | ✔ | 8 | 44 | 3 | 0.0 | 0.000 | 0.776 | (0;011) | ✗ | 05/01/17 |
FeB | COD | 1010477 | Pnma (62) | ✔ | 8 | 44 | 3 | 0.0 | 0.001 | 0.652 | (0;011) | ✗ | 05/01/17 |
FeBO3 | COD | 1511131 | R-3c (167) | ✔ | 10 | 58 | 3 | 0.0 | 0.001 | 0.646 | (0;000) | ✗ | 05/01/17 |
CsYHgSe3 | COD | 4313795 | Cmcm (63) | ✔ | 12 | 100 | 3 | 1.4666 | 1.467 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsGaSe3 | COD | 1533091 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 1.9338 | 2.031 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsFe2S3 | COD | 9013450 | Cmcm (63) | ✔ | 12 | 86 | 1 | 0.0 | 0.000 | 0.306 | (0;110) | ✗ | 02/02/17 |
Fe3BO5 | COD | 1511157 | P2/m (10) | ✔ | 18 | 114 | 3 | 0.0 | 0.005 | 0.752 | (1;100) | ✗ | 05/01/17 |
CsFe2F6 | COD | 1529266 | Fd-3m (227) | ✔ | 18 | 134 | 3 | 0.0 | 0.000 | 0.500 | (0;000) | ✗ | 02/02/17 |
CsPd2F5 | COD | 1000425 | Imma (74) | ✔ | 16 | 160 | 3 | 0.0 | 0.002 | 0.382 | (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 |
NaBF4 | COD | 9007507 | Cmcm (63) | ✔ | 12 | 80 | 1 | 8.0382 | 8.254 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs3Sb2I9 | COD | 1520793 | P-3m1 (164) | ✔ | 14 | 100 | 2 | 1.2671 | 1.279 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs3H(SeO4)2 | COD | 2100808 | C2/m (12) | ✔ | 14 | 88 | 1 | 4.4215 | 4.457 | 0.000 | (0;000) | ✗ | 02/02/17 |
BF2 | COD | 1510681 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 5.0014 | 5.057 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs2S | COD | 1525329 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.4068 | 2.446 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2ZrSe3 | COD | 8101657 | Cmcm (63) | ✔ | 12 | 80 | 1 | 1.2811 | 1.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
BeO | COD | 2310674 | P4_2/mnm (136) | ✔ | 8 | 40 | 1 | 6.9696 | 6.970 | 0.000 | (0;000) | ✗ | 05/01/17 |
Be | COD | 9012040 | P6_3/mmc (194) | ✔ | 2 | 8 | 1 | 0.0 | 0.001 | 0.353 | (1;000) | ✗ | 05/01/17 |
NaBeSb | COD | 7221254 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 0.6881 | 1.361 | 0.000 | (0;000) | ✗ | 05/01/17 |
CrPb2 | COD | 4031247 | C2/m (12) | ✔ | 6 | 84 | 1 | 0.0 | 0.007 | 0.581 | (0;111) | ✗ | 02/02/17 |
LiBeP | COD | 9008325 | P4/nmm (129) | ✔ | 6 | 24 | 1 | 1.1973 | 1.585 | 0.000 | (0;000) | ✗ | 05/01/17 |
LiCr(SiO3)2 | COD | 9008442 | C2/c (15) | ✔ | 20 | 122 | 3 | 0.0 | 0.000 | 0.437 | (1;101) | ✗ | 02/02/17 |
CrHg(PbO3)2 | COD | 2012488 | P-1 (2) | ✔ | 20 | 180 | 3 | 2.1127 | 2.113 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiBeH3 | COD | 4343939 | Pnma (62) | ✔ | 20 | 40 | 1 | 2.2964 | 2.395 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cr7Se8 | COD | 1008922 | C2/m (12) | ✔ | 15 | 146 | 3 | 0.0 | 0.009 | 0.576 | (0;111) | ✗ | 02/02/17 |
BeCl2 | COD | 1526848 | Ibam (72) | ✔ | 6 | 36 | 1 | 6.5568 | 6.792 | 0.000 | (0;000) | ✗ | 05/01/17 |
BeBr2 | COD | 1526850 | Ibam (72) | ✔ | 6 | 36 | 1 | 5.332 | 5.347 | 0.000 | (0;000) | ✗ | 05/01/17 |
Mn(CrS2)2 | COD | 9012044 | Fd-3m (227) | ✔ | 14 | 134 | 3 | 0.0 | 0.000 | 0.808 | (0;000) | ✗ | 02/02/17 |
K3NaCr2O8 | COD | 2101077 | P-3m1 (164) | ✔ | 14 | 112 | 1 | 3.2103 | 3.214 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cr2CuS4 | COD | 9012141 | Fd-3m (227) | ✔ | 14 | 126 | 3 | 0.0 | 0.000 | 0.480 | (0;000) | ✗ | 02/02/17 |
CoSe2 | COD | 9012536 | Pa3 (205) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.786 | (1;111) | ✗ | 02/02/17 |
CoP3 | COD | 1526482 | Im3 (204) | ✔ | 16 | 128 | 3 | 0.0 | 0.000 | 0.141 | (1;000) | ✗ | 02/02/17 |
Ta2CoO6 | COD | 1530640 | P4_2/mnm (136) | ✔ | 18 | 158 | 3 | 0.0 | 0.000 | 0.833 | (0;000) | ✗ | 02/02/17 |
In3Co | COD | 1524662 | P4_2/mnm (136) | ✔ | 16 | 224 | 3 | 0.0 | 0.011 | 0.342 | (0;000) | ✗ | 02/02/17 |
In2Co | COD | 2106591 | Fddd (70) | ✔ | 12 | 172 | 3 | 0.0 | 0.003 | 0.526 | (1;111) | ✗ | 02/02/17 |
Co(IN2)3 | COD | 9015112 | Fm-3m (225) | ✔ | 10 | 68 | 1 | 0.0 | 0.033 | 0.289 | (1;000) | ✗ | 02/02/17 |
Ga3Co | COD | 1525237 | P4_2/mnm (136) | ✔ | 16 | 224 | 3 | 0.0 | 0.005 | 0.289 | (1;000) | ✗ | 02/02/17 |
Co3S4 | COD | 1011056 | Fd-3m (227) | ✔ | 14 | 150 | 3 | 0.0 | 0.000 | 0.360 | (0;000) | ✗ | 02/02/17 |
PbCO3 | COD | 9008411 | Pnma (62) | ✔ | 20 | 144 | 3 | 3.204 | 3.213 | 0.000 | (0;000) | ✗ | 02/02/17 |
YGa2Co3 | COD | 1524384 | P6/mmm (191) | ✔ | 18 | 264 | 3 | 0.0 | 0.000 | 0.925 | (0;000) | ✗ | 02/02/17 |
TlCO2 | COD | 4308986 | P2_1/c (14) | ✔ | 16 | 116 | 2 | 2.5146 | 2.589 | 0.000 | (0;000) | ✗ | 02/02/17 |
Co2CuS4 | COD | 1010946 | Fd-3m (227) | ✔ | 14 | 138 | 3 | 0.0 | 0.000 | 0.789 | (0;000) | ✗ | 02/02/17 |
Be2Fe | COD | 7221338 | P6_3/mmc (194) | ✔ | 12 | 64 | 3 | 0.0 | 0.002 | 0.583 | (1;000) | ✗ | 05/01/17 |
NaC | COD | 1521140 | I4_1/acd (142) | ✔ | 16 | 104 | 1 | 3.5905 | 3.703 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbClO | COD | 9015322 | Pnma (62) | ✔ | 12 | 108 | 2 | 0.0 | 0.001 | 0.655 | (1;011) | ✗ | 02/02/17 |
NCl | COD | 9014419 | Pa3 (205) | ✔ | 16 | 96 | 1 | 0.0 | 0.005 | 0.742 | (1;000) | ✗ | 02/02/17 |