▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NClO6 | ICSD | 25817 | C2/c (15) | ✔ | 16 | 96 | 1 | 2.1258 | 2.155 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbBr5 | ICSD | 409917 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.1833 | 0.196 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2SO4 | ICSD | 27955 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 0.0 | 0.000 | 0.521 | (1;000) | ✗ | 27/01/17 |
MgNiGe | COD | 4335168 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.032 | 0.572 | (1;000) | ✗ | 27/01/17 |
ZnO2 | ICSD | 60763 | Pa3 (205) | ✔ | 12 | 96 | 3 | 2.3571 | 2.488 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2SeO4 | COD | 2106359 | Fddd (70) | ✔ | 14 | 96 | 1 | 3.7333 | 3.772 | 0.000 | (0;000) | ✗ | 27/01/17 |
Hf3(SiCu)4 | ICSD | 87201 | Immm (71) | ✔ | 11 | 96 | 3 | 0.0 | 0.017 | 0.509 | (0;111) | ✗ | 27/01/17 |
Y3AlC3 | COD | 4341867 | Pmma (51) | ✔ | 14 | 96 | 3 | 0.0 | 0.007 | 0.468 | (0;101) | ✗ | 02/02/17 |
Na2Pd(SeO4)2 | ICSD | 249506 | P-1 (2) | ✔ | 13 | 96 | 2 | 1.7145 | 1.715 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2SO4 | COD | 1011184 | Fddd (70) | ✔ | 14 | 96 | 1 | 5.2961 | 5.316 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2SO4 | COD | 1010522 | Cmcm (63) | ✔ | 14 | 96 | 1 | 5.0257 | 5.223 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsCuF4 | ICSD | 35264 | I4/mcm (140) | ✔ | 12 | 96 | 3 | 1.5647 | 1.629 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgH2SeO5 | ICSD | 66745 | C2/c (15) | ✔ | 18 | 96 | 3 | 4.2015 | 4.202 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2CrCl4 | COD | 1530131 | C2/c (15) | ✔ | 14 | 96 | 3 | 0.0 | 0.006 | 0.560 | (0;000) | ✗ | 02/02/17 |
NiH2SO5 | COD | 9009372 | C2/c (15) | ✔ | 18 | 96 | 3 | 0.0 | 0.012 | 0.578 | (0;000) | ✗ | 27/01/17 |
CSCl2 | ICSD | 300291 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 2.8885 | 2.901 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaB(CN)4 | COD | 4308585 | Fd-3m (227) | ✔ | 20 | 96 | 1 | 6.8589 | 6.878 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgWO4 | ICSD | 36310 | P2/c (13) | ✔ | 12 | 96 | 3 | 0.0 | 0.001 | 1.000 | (1;010) | ✗ | 27/01/17 |
Na5ReO6 | ICSD | 38382 | C2/m (12) | ✔ | 12 | 96 | 1 | 2.3756 | 2.376 | 0.000 | (0;000) | ✗ | 27/01/17 |
TeBr6 | ICSD | 38347 | P4/mnc (128) | ✔ | 14 | 96 | 1 | 0.0 | 0.004 | 0.263 | (0;000) | ✗ | 02/02/17 |
MgH2SO5 | COD | 1100087 | C2/c (15) | ✔ | 18 | 96 | 3 | 5.8055 | 5.806 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiH2SeO5 | ICSD | 39886 | C2/c (15) | ✔ | 18 | 96 | 3 | 0.0 | 0.008 | 0.725 | (0;000) | ✗ | 27/01/17 |
CsCSN | ICSD | 60871 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.4093 | 4.410 | 0.000 | (0;000) | ✗ | 02/02/17 |
CNCl | ICSD | 86484 | C2/c (15) | ✔ | 18 | 96 | 1 | 3.7201 | 3.910 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsB(CN)4 | COD | 4308582 | I4_1/a (88) | ✔ | 20 | 96 | 1 | 6.6641 | 6.715 | 0.000 | (0;000) | ✗ | 02/02/17 |
KB(CN)4 | ICSD | 411180 | I4_1/a (88) | ✔ | 20 | 96 | 1 | 6.4334 | 6.461 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mg2GeO4 | COD | 9010486 | Fd-3m (227) | ✔ | 14 | 96 | 3 | 3.5003 | 3.500 | 0.000 | (0;000) | ✗ | 27/01/17 |
VCl5 | ICSD | 425146 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.3098 | 0.388 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiFeSO4F | ICSD | 182944 | P-1 (2) | ✔ | 16 | 96 | 3 | 0.3415 | 0.363 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaAlAu | ICSD | 370015 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.022 | 0.395 | (1;000) | ✗ | 30/01/17 |
RbNaTiO3 | ICSD | 78753 | C2/c (15) | ✔ | 12 | 96 | 1 | 3.7013 | 3.738 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlBr3 | ICSD | 83432 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 4.1378 | 4.138 | 0.000 | (0;000) | ✗ | 30/01/17 |
AlPNCl5 | ICSD | 391165 | P-1 (2) | ✔ | 16 | 96 | 1 | 4.4513 | 4.519 | 0.000 | (0;000) | ✗ | 30/01/17 |
MgF2 | COD | 1526236 | Pa3 (205) | ✔ | 12 | 96 | 3 | 7.909 | 7.909 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaAuF4 | COD | 1510141 | I4/mcm (140) | ✔ | 12 | 96 | 1 | 1.6526 | 1.659 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrMgGe | ICSD | 42458 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.0 | 0.014 | 0.013 | (0;000) | ✗ | 02/02/17 |
GaAu | COD | 9008926 | Pnma (62) | ✔ | 8 | 96 | 3 | 0.0 | 0.094 | 0.370 | (1;000) | ✗ | 05/01/17 |
AlI3 | ICSD | 391247 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 2.9254 | 2.928 | 0.000 | (0;000) | ✗ | 30/01/17 |
NaReO4 | ICSD | 52337 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 3.8048 | 3.880 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgHOF | ICSD | 186501 | Pnma (62) | ✔ | 16 | 96 | 3 | 4.8158 | 4.816 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ti3Hg | COD | 1523041 | Pm-3n (223) | ✔ | 8 | 96 | 3 | 0.0 | 0.009 | 0.349 | (1;000) | ✗ | 27/01/17 |
CaSiPt | ICSD | 72640 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.533 | (0;000) | ✔ | 05/12/16 |
CaCl2 | ICSD | 86209 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.4831 | 2.483 | 0.000 | (0;000) | ✗ | 02/02/17 |
B2Mo3 | ICSD | 614800 | P4/mbm (127) | ✔ | 10 | 96 | 3 | 0.0 | 0.006 | 0.688 | (0;001) | ✗ | 05/01/17 |
ZnNi3B2 | COD | 4325891 | C2/m (12) | ✔ | 12 | 96 | 3 | 0.0 | 0.002 | 0.459 | (0;111) | ✗ | 05/01/17 |
SrNiGe | COD | 4335169 | Pnma (62) | ✔ | 12 | 96 | 2 | 0.0 | 0.144 | 0.250 | (0;000) | ✗ | 02/02/17 |
Co2Sn | COD | 1525127 | P6_3/mmc (194) | ✔ | 6 | 96 | 3 | 0.0 | 0.021 | 0.584 | (0;000) | ✗ | 27/01/17 |
Fe3O4 | COD | 9002674 | Fd-3m (227) | ✔ | 14 | 96 | 3 | 0.0 | 0.002 | 0.306 | (0;000) | ✗ | 27/01/17 |
Na3H5(CO2)4 | ICSD | 109935 | P-1 (2) | ✔ | 20 | 96 | 1 | 4.5508 | 4.603 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb3AlO3 | ICSD | 74969 | C2/m (12) | ✔ | 14 | 96 | 3 | 2.8352 | 2.835 | 0.000 | (0;000) | ✗ | 30/01/17 |