▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MnClO3 | ICSD | 416749 | Ccm2_1 (36) | ✗ | 10 | 80 | 1 | 0.0 | 1.599 | 1.000 | (0;000) | ✔ | 06/10/16 |
CsBrO4 | COD | 4031454 | I4_1/amd (141) | ✔ | 12 | 80 | 1 | 3.8217 | 3.822 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3AlP2 | ICSD | 73278 | Ibam (72) | ✔ | 12 | 80 | 1 | 1.3748 | 1.578 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cr(ClO)2 | ICSD | 416750 | P2_1 (4) | ✗ | 10 | 80 | 1 | 0.0 | 2.337 | 1.000 | ? | ✗ | 06/10/16 |
Na2PdSe2 | ICSD | 644936 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 0.7075 | 1.180 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2MgWO6 | ICSD | 152572 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 2.7544 | 2.831 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2NiMoO6 | ICSD | 98192 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 0.0 | 0.000 | 0.784 | (0;000) | ✗ | 05/01/17 |
Ba2NaReO6 | ICSD | 200876 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 2.1561 | 2.227 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2YNbO6 | ICSD | 172407 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 3.1567 | 3.157 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaNiF3 | COD | 2300484 | Cmcm (63) | ✔ | 10 | 80 | 2 | 0.0 | 0.002 | 0.706 | (0;000) | ✗ | 27/01/17 |
Ba2NiWO6 | ICSD | 28342 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 0.0 | 0.000 | 0.684 | (0;000) | ✗ | 05/01/17 |
Ba2SrWO6 | ICSD | 246115 | R-3 (148) | ✔ | 10 | 80 | 1 | 3.0139 | 3.014 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2YTaO6 | ICSD | 171173 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 3.2003 | 3.200 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaH4(IO)2 | ICSD | 407360 | C2/c (15) | ✔ | 18 | 80 | 1 | 3.6524 | 3.669 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3WO6 | ICSD | 76437 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 2.6514 | 2.651 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2Br2O | ICSD | 423479 | Ibam (72) | ✔ | 10 | 80 | 1 | 3.1921 | 3.288 | 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 |
TlF | COD | 1520823 | Pbcm (57) | ✔ | 8 | 80 | 2 | 2.8245 | 2.913 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ta2PdS6 | ICSD | 655261 | C2/m (12) | ✔ | 9 | 80 | 3 | 0.0 | 0.060 | 0.157 | (0;000) | ✗ | 27/01/17 |
ScPO4 | COD | 2310638 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 4.4694 | 4.641 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbO | ICSD | 36250 | Pbc2_1 (29) | ✗ | 8 | 80 | 3 | 1.6145 | 1.935 | 0.000 | (0;000) | ✗ | 06/10/16 |
YPO4 | COD | 9001654 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 5.9664 | 6.176 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2SiO3 | ICSD | 24664 | Ccm2_1 (36) | ✗ | 12 | 80 | 1 | 4.1761 | 4.502 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaNaH3Pd | COD | 6000621 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 1.5304 | 1.872 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaHf(PO4)2 | ICSD | 245690 | C2/m (12) | ✔ | 12 | 80 | 2 | 4.6342 | 4.701 | 0.000 | (0;000) | ✗ | 05/01/17 |
PbO | ICSD | 99777 | P1 (1) | ✗ | 8 | 80 | 2 | 0.9824 | 0.982 | 0.000 | (0;000) | ✗ | 06/10/16 |
SnO | ICSD | 424729 | Ccm2_1 (36) | ✗ | 8 | 80 | 2 | 1.2884 | 1.479 | 0.000 | (0;000) | ✗ | 06/10/16 |
K3BAs2 | ICSD | 300105 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.3279 | 1.768 | 0.000 | (0;000) | ✗ | 30/01/17 |
Nb2PdS6 | ICSD | 600718 | C2/m (12) | ✔ | 9 | 80 | 3 | 0.0 | 0.031 | 0.279 | (1;000) | ✗ | 27/01/17 |
Rb3BAs2 | ICSD | 402082 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.3651 | 1.757 | 0.000 | (0;000) | ✗ | 30/01/17 |
K3BP2 | COD | 8103458 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.6994 | 2.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs3BAs2 | ICSD | 300122 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.6808 | 1.772 | 0.000 | (0;000) | ✗ | 30/01/17 |
Nb2PdSe6 | ICSD | 600719 | C2/m (12) | ✔ | 9 | 80 | 3 | 0.0 | 0.024 | 0.334 | (1;001) | ✗ | 27/01/17 |
NaMgF3 | ICSD | 156158 | Cmc2_1 (36) | ✗ | 10 | 80 | 3 | 9.1855 | 9.189 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaSn5 | ICSD | 107305 | P6/mmm (191) | ✔ | 6 | 80 | 2 | 0.0 | 0.010 | 0.705 | (1;001) | ✗ | 05/01/17 |
K2NaBP2 | ICSD | 300133 | C2/m (12) | ✔ | 12 | 80 | 1 | 1.8181 | 1.907 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaN6 | COD | 8103674 | P2_1/m (11) | ✔ | 14 | 80 | 1 | 3.9887 | 3.989 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaNaBO3 | COD | 2003991 | C2/m (12) | ✔ | 12 | 80 | 1 | 3.8607 | 3.861 | 0.000 | (0;000) | ✗ | 05/01/17 |
Mg2BBrN2 | ICSD | 261620 | C2/c (15) | ✔ | 12 | 80 | 3 | 3.4236 | 3.781 | 0.000 | (0;000) | ✗ | 05/01/17 |
CoB | COD | 9008945 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.039 | 0.086 | (0;000) | ✗ | 05/01/17 |
CoPS3 | ICSD | 624616 | C2/m (12) | ✔ | 10 | 80 | 2 | 0.0 | 0.006 | 0.364 | (0;000) | ✗ | 27/01/17 |
Ba2I2O | ICSD | 391434 | Ibam (72) | ✔ | 10 | 80 | 1 | 2.7672 | 2.976 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb3BP2 | COD | 8103471 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.6726 | 2.002 | 0.000 | (0;000) | ✗ | 02/02/17 |
CoPPd | ICSD | 624599 | P4/nmm (129) | ✔ | 6 | 80 | 3 | 0.0 | 0.011 | 0.497 | (1;000) | ✗ | 27/01/17 |
BH3OF4 | ICSD | 15591 | P-1 (2) | ✔ | 18 | 80 | 1 | 6.1272 | 6.158 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaBF4 | COD | 9007507 | Cmcm (63) | ✔ | 12 | 80 | 1 | 8.0382 | 8.254 | 0.000 | (0;000) | ✗ | 05/01/17 |
Sb2O5 | COD | 9011205 | C2/c (15) | ✔ | 14 | 80 | 3 | 0.9086 | 0.925 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2NaYF6 | ICSD | 25369 | Fm-3m (225) | ✔ | 10 | 80 | 2 | 6.6501 | 6.650 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaPdS2 | ICSD | 63588 | Cmcm (63) | ✔ | 8 | 80 | 1 | 0.2276 | 0.228 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbPO5 | COD | 1530584 | C2/c (15) | ✔ | 14 | 80 | 3 | 3.0941 | 3.094 | 0.000 | (0;000) | ✗ | 27/01/17 |