▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
K3YF6 | ICSD | 416296 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 6.6499 | 6.735 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(ZnAs)2 | COD | 7221354 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.1744 | 0.174 | 0.000 | (0;000) | ✗ | 30/01/17 |
In6Ga2PtO8 | ICSD | 411505 | Fm-3m (225) | ✔ | 17 | 162 | 3 | 0.6207 | 0.634 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3ReC4(N2O)2 | ICSD | 16121 | P-1 (2) | ✔ | 14 | 90 | 1 | 2.574 | 2.574 | 0.000 | (0;000) | ✗ | 02/02/17 |
InSiTe3 | ICSD | 66356 | P-31m (162) | ✔ | 10 | 70 | 2 | 0.2799 | 0.602 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2SnBr6 | ICSD | 158955 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 1.3293 | 1.329 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiClF8 | ICSD | 39555 | P-1 (2) | ✔ | 20 | 156 | 1 | 2.8713 | 2.871 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaAgO | COD | 1509474 | I4/mmm (139) | ✔ | 12 | 104 | 3 | 1.3096 | 1.333 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsK2Sc(PO4)2 | ICSD | 61787 | P-3m1 (164) | ✔ | 14 | 96 | 3 | 4.3143 | 4.408 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaMg(CO2)2 | ICSD | 193061 | C2/m (12) | ✔ | 8 | 52 | 1 | 1.5397 | 1.540 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrS | ICSD | 52111 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 1.0911 | 1.447 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbBr5 | COD | 8102968 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.1832 | 0.196 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2PtCl4 | COD | 1010083 | P4/mmm (123) | ✔ | 7 | 56 | 1 | 1.5056 | 1.537 | 0.000 | (0;000) | ✗ | 02/02/17 |
In2HgS4 | COD | 9012324 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.6681 | 0.867 | 0.000 | (0;000) | ✗ | 02/02/17 |
P2S7 | ICSD | 423062 | P-1 (2) | ✔ | 18 | 104 | 1 | 1.8252 | 1.896 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbTe2F6 | COD | 4031419 | P-1 (2) | ✔ | 18 | 118 | 2 | 1.0596 | 1.284 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Ag2SnSe4 | ICSD | 90119 | P2/c (13) | ✔ | 18 | 156 | 2 | 0.9661 | 0.966 | 0.000 | (0;000) | ✗ | 30/01/17 |
SnI2 | ICSD | 2831 | C2/m (12) | ✔ | 9 | 84 | 3 | 1.373 | 1.650 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pd(Se3Br)2 | ICSD | 418160 | P-1 (2) | ✔ | 9 | 68 | 2 | 0.7959 | 0.796 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2Hg2PdCl8 | ICSD | 203187 | C2/m (12) | ✔ | 13 | 116 | 1 | 1.737 | 1.763 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2P7I | ICSD | 426195 | P2_1/m (11) | ✔ | 20 | 124 | 1 | 1.6064 | 1.767 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiCl2O | COD | 7028093 | P-1 (2) | ✔ | 16 | 96 | 1 | 5.8349 | 5.921 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeTeAs | ICSD | 610529 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.5659 | 0.631 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cs2Ni3Se4 | ICSD | 33891 | Fmmm (69) | ✔ | 9 | 72 | 1 | 0.6 | 0.806 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs(SbS2)2 | ICSD | 67976 | P-1 (2) | ✔ | 14 | 86 | 3 | 1.2748 | 1.768 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsSnCl3 | COD | 1527954 | P2_1/c (14) | ✔ | 20 | 176 | 1 | 2.8109 | 2.811 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnCl2 | COD | 2310517 | Pnma (62) | ✔ | 12 | 112 | 1 | 2.9786 | 3.228 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3InS4Cl | ICSD | 427796 | I4/mcm (140) | ✔ | 18 | 148 | 1 | 2.8306 | 2.941 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaSnF4 | ICSD | 166207 | P4/nmm (129) | ✔ | 12 | 104 | 1 | 3.6554 | 3.729 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfTlCuSe3 | ICSD | 82563 | Cmcm (63) | ✔ | 12 | 108 | 3 | 0.4825 | 0.512 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnB2(CN)8 | ICSD | 415547 | P-3m1 (164) | ✔ | 19 | 90 | 3 | 5.6043 | 5.632 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbSeBr3 | COD | 4030713 | P2/c (13) | ✔ | 20 | 160 | 1 | 0.0742 | 0.158 | 0.000 | (0;000) | ✗ | 02/02/17 |
AsClF8 | ICSD | 23775 | C2/c (15) | ✔ | 20 | 136 | 1 | 3.8415 | 3.876 | 0.000 | (0;000) | ✗ | 30/01/17 |
H5C2NO2 | COD | 2201044 | P2_1 (4) | ✗ | 20 | 60 | 1 | 5.21 | 5.309 | 0.000 | (0;000) | ✗ | 15/02/17 |
SrZnCl4 | ICSD | 410191 | I4_1/a (88) | ✔ | 12 | 100 | 1 | 4.4129 | 4.413 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaAgF6 | COD | 1509333 | P4_2/mcm (132) | ✔ | 16 | 132 | 3 | 3.4968 | 3.507 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsAgCl3 | COD | 1509779 | I4/mmm (139) | ✔ | 10 | 82 | 2 | 0.6015 | 0.679 | 0.000 | (0;000) | ✗ | 30/01/17 |
KCdCl3 | ICSD | 33281 | Pnma (62) | ✔ | 20 | 168 | 2 | 3.676 | 3.816 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs3BP2 | COD | 8103455 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.8676 | 1.908 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsTe | ICSD | 83351 | Pbam (55) | ✔ | 8 | 60 | 1 | 0.9969 | 1.077 | 0.000 | (0;000) | ✗ | 02/02/17 |
K5CuAs2 | COD | 1008879 | P6_3/mmc (194) | ✔ | 16 | 132 | 1 | 0.3772 | 0.473 | 0.000 | (0;000) | ✗ | 30/01/17 |
Pb2SO5 | ICSD | 30627 | C2/m (12) | ✔ | 16 | 128 | 3 | 2.5863 | 2.595 | 0.000 | (0;000) | ✗ | 02/02/17 |
AgAuCl4 | COD | 7209314 | C2/c (15) | ✔ | 12 | 100 | 2 | 0.8582 | 0.858 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2PAu | COD | 1008465 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.8255 | 0.826 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2Sn(AsS3)2 | COD | 9012866 | P-3 (147) | ✔ | 11 | 86 | 2 | 0.9286 | 0.958 | 0.000 | (0;000) | ✗ | 30/01/17 |
HgCSNCl | ICSD | 409579 | Pnma (62) | ✔ | 20 | 136 | 3 | 2.6253 | 2.625 | 0.000 | (0;000) | ✗ | 02/02/17 |
S(IN)2 | ICSD | 72363 | P-1 (2) | ✔ | 20 | 120 | 2 | 1.0885 | 1.190 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pb2ClOF | COD | 9012904 | Cmme (67) | ✔ | 10 | 96 | 2 | 2.3301 | 2.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2I2O | COD | 8102957 | Ibam (72) | ✔ | 10 | 80 | 1 | 3.1001 | 3.225 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2B2Se5 | COD | 1510746 | C2/c (15) | ✔ | 18 | 84 | 3 | 1.7208 | 1.912 | 0.000 | (0;000) | ✗ | 02/02/17 |