▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cs2SiAs2 | COD | 1008523 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.1343 | 1.444 | 0.000 | (0;000) | ✗ | 30/01/17 |
CrP4 | ICSD | 2790 | C2/c (15) | ✔ | 10 | 68 | 2 | 0.0 | 0.022 | 0.114 | (1;000) | ✔ | 27/01/17 |
Cs2SnAs2 | COD | 1008524 | Ibam (72) | ✔ | 10 | 84 | 1 | 1.0186 | 1.361 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ba(CuO)2 | COD | 2002215 | I4_1/amd (141) | ✔ | 10 | 88 | 3 | 1.3364 | 1.336 | 0.000 | (0;000) | ✗ | 05/01/17 |
KCuF3 | COD | 9006349 | I4/mcm (140) | ✔ | 10 | 82 | 3 | 0.0 | 0.004 | 0.255 | (0;000) | ✗ | 27/01/17 |
KCuF3 | ICSD | 9856 | I4/mcm (140) | ✔ | 10 | 82 | 3 | 0.0 | 0.009 | 0.248 | (0;000) | ✗ | 27/01/17 |
K2GeAs2 | COD | 1008520 | Ibam (72) | ✔ | 10 | 64 | 1 | 0.8312 | 0.962 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2As2Pd | ICSD | 32009 | Cmcm (63) | ✔ | 10 | 92 | 1 | 0.6777 | 0.686 | 0.000 | (0;000) | ✗ | 30/01/17 |
As2Se3 | ICSD | 611373 | C2/m (12) | ✔ | 10 | 56 | 1 | 0.5143 | 0.533 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2As2Pt | ICSD | 610762 | Cmcm (63) | ✔ | 10 | 76 | 1 | 0.2624 | 0.291 | 0.000 | (0;000) | ✗ | 30/01/17 |
Mg3As2 | COD | 1010124 | Pn-3m (224) | ✔ | 10 | 80 | 3 | 0.7835 | 0.869 | 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 |
Y3H2 | ICSD | 152861 | P6_3/mmc (194) | ✔ | 10 | 70 | 3 | 0.0 | 0.000 | 0.932 | (0;000) | ✗ | 06/10/16 |
Rb2SiAs2 | ICSD | 60617 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.0031 | 1.379 | 0.000 | (0;000) | ✗ | 30/01/17 |
Rb2As2Pt | ICSD | 107529 | Cmcm (63) | ✔ | 10 | 76 | 1 | 0.364 | 0.394 | 0.000 | (0;000) | ✗ | 30/01/17 |
Rb2SnAs2 | COD | 1008521 | Ibam (72) | ✔ | 10 | 84 | 1 | 0.825 | 1.092 | 0.000 | (0;000) | ✗ | 30/01/17 |
Te3As2 | ICSD | 18208 | C2/m (12) | ✔ | 10 | 56 | 2 | 0.3627 | 0.397 | 0.000 | (0;000) | ✔ | 06/10/16 |
LiNbO3 | COD | 1521772 | R-3c (167) | ✔ | 10 | 68 | 3 | 2.6596 | 2.693 | 0.000 | (0;000) | ✗ | 27/01/17 |
Te3As2 | COD | 2310540 | C2/m (12) | ✔ | 10 | 56 | 2 | 0.3628 | 0.398 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2NaCuF6 | ICSD | 22111 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 0.0 | 0.000 | 0.366 | (0;000) | ✗ | 27/01/17 |
CdPS3 | ICSD | 620232 | C2/m (12) | ✔ | 10 | 70 | 2 | 1.6575 | 1.969 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdPSe3 | ICSD | 620234 | R-3 (148) | ✔ | 10 | 70 | 2 | 1.1098 | 1.259 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2As3 | ICSD | 409381 | Fmmm (69) | ✔ | 10 | 66 | 1 | 0.3972 | 0.403 | 0.000 | (0;000) | ✗ | 30/01/17 |
Fe2CuGe2 | ICSD | 62330 | Pmma (51) | ✔ | 10 | 70 | 3 | 0.0 | 0.000 | 0.985 | (1;101) | ✗ | 27/01/17 |
Cs2As3 | ICSD | 409382 | Fmmm (69) | ✔ | 10 | 66 | 1 | 0.4415 | 0.442 | 0.000 | (0;000) | ✗ | 30/01/17 |
LiNbO3 | COD | 9016248 | R-3 (148) | ✔ | 10 | 68 | 1 | 3.7653 | 3.863 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiNO3 | ICSD | 67981 | R-3c (167) | ✔ | 10 | 52 | 2 | 3.109 | 3.486 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaMnO3 | COD | 1524992 | P6_3/mmc (194) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.345 | (0;000) | ✗ | 05/01/17 |
Cs2RbBiF6 | ICSD | 9384 | Fm-3m (225) | ✔ | 10 | 84 | 3 | 4.0212 | 4.051 | 0.000 | (0;000) | ✗ | 02/02/17 |
P3Au2 | ICSD | 8058 | C2/m (12) | ✔ | 10 | 74 | 3 | 0.0 | 0.089 | 0.119 | (1;100) | ✔ | 04/10/16 |
KSO2F | ICSD | 93058 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 4.566 | 4.574 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba(SiNi)2 | COD | 7221340 | Cmcm (63) | ✔ | 10 | 76 | 3 | 0.0 | 0.019 | 0.577 | (1;000) | ✗ | 05/01/17 |
BaNiO3 | COD | 2106603 | P6_3/mmc (194) | ✔ | 10 | 76 | 1 | 1.1864 | 1.283 | 0.000 | (0;000) | ✗ | 05/01/17 |
CuGeO3 | COD | 1520902 | Pmma (51) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.935 | (0;100) | ✗ | 27/01/17 |
BaPbO3 | COD | 1528128 | Imma (74) | ✔ | 10 | 84 | 3 | 0.1566 | 0.157 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs2KBiF6 | ICSD | 9383 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 4.0251 | 4.138 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaSeO3 | ICSD | 54156 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.9448 | 3.945 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaTeO3 | COD | 1524714 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 2.8465 | 2.873 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaZrO3 | ICSD | 190881 | I4/mcm (140) | ✔ | 10 | 64 | 3 | 2.6946 | 2.695 | 0.000 | (0;000) | ✗ | 05/01/17 |
KSeO2F | ICSD | 78398 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.8904 | 3.918 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2LiReO6 | ICSD | 246731 | Fm-3m (225) | ✔ | 10 | 74 | 1 | 2.2293 | 2.314 | 0.000 | (0;000) | ✗ | 27/01/17 |
KHCO2 | ICSD | 151294 | Cmcm (63) | ✔ | 10 | 52 | 1 | 4.6463 | 4.660 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbSO2F | ICSD | 89603 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 4.7165 | 4.722 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2TlBiF6 | ICSD | 9385 | Fm-3m (225) | ✔ | 10 | 88 | 3 | 1.7247 | 1.725 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li(SiRh)2 | ICSD | 420085 | P4/mbm (127) | ✔ | 10 | 90 | 3 | 0.0 | 0.000 | 0.994 | (1;001) | ✗ | 27/01/17 |
SrBiS2F | ICSD | 250892 | P4/nmm (129) | ✔ | 10 | 88 | 1 | 0.4653 | 0.478 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaMgF3 | ICSD | 156158 | Cmc2_1 (36) | ✗ | 10 | 80 | 3 | 9.1855 | 9.189 | 0.000 | (0;000) | ✗ | 06/10/16 |
KRb2BiF6 | ICSD | 9387 | Fm-3m (225) | ✔ | 10 | 84 | 3 | 4.1293 | 4.131 | 0.000 | (0;000) | ✗ | 02/02/17 |
MnBiSe2I | ICSD | 415138 | C2/m (12) | ✔ | 10 | 98 | 3 | 0.0 | 0.006 | 0.308 | (1;001) | ✗ | 02/02/17 |
ScTa(PbO3)2 | ICSD | 77739 | Fm-3m (225) | ✔ | 10 | 88 | 3 | 2.2483 | 2.248 | 0.000 | (0;000) | ✗ | 27/01/17 |