▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rb2Pd3S4 | ICSD | 41886 | C2/m (12) | ✔ | 9 | 96 | 1 | 1.1446 | 1.318 | 0.000 | (0;000) | ✗ | 02/02/17 |
AuClO | COD | 2105387 | R-3 (148) | ✔ | 18 | 144 | 3 | 1.1439 | 1.248 | 0.000 | (0;000) | ✗ | 30/01/17 |
AlI3 | ICSD | 391247 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 2.9254 | 2.928 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ba(CuTe)2 | ICSD | 51444 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.4661 | 0.483 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca3(AlN2)2 | COD | 4321679 | C2/c (15) | ✔ | 18 | 112 | 2 | 2.5001 | 2.500 | 0.000 | (0;000) | ✗ | 30/01/17 |
CS14 | ICSD | 26464 | R-3m (166) | ✔ | 15 | 88 | 2 | 2.3303 | 2.487 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr(BiO2)2 | ICSD | 80668 | C2/m (12) | ✔ | 14 | 128 | 1 | 0.3368 | 0.827 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlInTe2 | COD | 1527853 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 0.3005 | 0.382 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbI2 | COD | 9009142 | R-3m (166) | ✔ | 3 | 28 | 2 | 1.436 | 1.436 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cs2NaYBr6 | ICSD | 65733 | Fm-3m (225) | ✔ | 10 | 80 | 2 | 4.1305 | 4.131 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3Ge4Au | COD | 1510174 | Pmmn (59) | ✔ | 16 | 108 | 1 | 0.709 | 0.813 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsC3(SeN)3 | ICSD | 4101 | C2/c (15) | ✔ | 20 | 108 | 1 | 1.9235 | 2.016 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsPt2Se3 | ICSD | 69440 | R-3m (166) | ✔ | 12 | 94 | 2 | 0.8588 | 0.859 | 0.000 | (0;000) | ✗ | 02/02/17 |
InTeI | COD | 1525202 | P2_1/c (14) | ✔ | 12 | 104 | 2 | 1.3786 | 1.379 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNO2 | ICSD | 86117 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 2.4941 | 2.579 | 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 |
HgC2(NO)2 | ICSD | 245329 | Cmce (64) | ✔ | 14 | 84 | 2 | 3.7029 | 3.807 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cd3TeO6 | ICSD | 35084 | P2_1/c (14) | ✔ | 20 | 156 | 3 | 0.8176 | 0.818 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2SiS4 | ICSD | 650888 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 2.6715 | 2.832 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2PbO3 | ICSD | 62140 | Cmcm (63) | ✔ | 12 | 100 | 2 | 1.7632 | 1.763 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeTe2 | ICSD | 633869 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.0324 | 0.108 | 0.000 | (0;000) | ✗ | 02/02/17 |
KSbF6 | ICSD | 42509 | P4_2/mcm (132) | ✔ | 16 | 112 | 1 | 6.093 | 6.093 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2BeB2O5 | COD | 2214424 | C2/c (15) | ✔ | 20 | 116 | 1 | 4.9414 | 4.981 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li3AuS2 | COD | 4319430 | Ibam (72) | ✔ | 12 | 64 | 1 | 1.7845 | 1.785 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiIN | ICSD | 27394 | Pmmn (59) | ✔ | 6 | 48 | 2 | 0.0301 | 0.030 | 0.000 | (0;000) | ✗ | 30/01/17 |
RbHCO2 | ICSD | 172203 | Pbcm (57) | ✔ | 20 | 104 | 1 | 4.5929 | 4.593 | 0.000 | (0;000) | ✗ | 02/02/17 |
K4HgAs2 | ICSD | 402573 | R-3m (166) | ✔ | 7 | 58 | 1 | 0.7813 | 0.781 | 0.000 | (0;000) | ✗ | 30/01/17 |
GaHgCl4 | ICSD | 413579 | P-1 (2) | ✔ | 12 | 106 | 2 | 3.0339 | 3.159 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2VCuS4 | ICSD | 81414 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.2357 | 1.460 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3TiS5 | COD | 1530517 | I4/mcm (140) | ✔ | 18 | 144 | 1 | 1.4393 | 1.439 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgI2 | COD | 9009108 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 3.1114 | 3.286 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsGaS3 | ICSD | 281723 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 2.6307 | 2.708 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y2NCl3 | ICSD | 65829 | C2/m (12) | ✔ | 12 | 96 | 3 | 1.9476 | 2.458 | 0.000 | (0;000) | ✗ | 02/02/17 |
HC | COD | 2100841 | Pa3 (205) | ✔ | 16 | 40 | 1 | 5.684 | 5.704 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3AuS2 | COD | 1510251 | R-3c (167) | ✔ | 12 | 100 | 1 | 2.363 | 2.771 | 0.000 | (0;000) | ✗ | 02/02/17 |
KPO3 | ICSD | 26148 | Pnma (62) | ✔ | 20 | 128 | 1 | 4.7829 | 4.783 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li3TeHO4 | ICSD | 38036 | P2_1/m (11) | ✔ | 18 | 80 | 1 | 3.6746 | 3.978 | 0.000 | (0;000) | ✗ | 02/02/17 |
AlBiBr6 | ICSD | 414262 | P-1 (2) | ✔ | 16 | 120 | 2 | 1.9787 | 1.979 | 0.000 | (0;000) | ✗ | 30/01/17 |
InSb2S4Cl | ICSD | 159468 | C2/m (12) | ✔ | 16 | 108 | 3 | 1.4761 | 1.484 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2Hg2PdBr8 | ICSD | 203188 | C2/m (12) | ✔ | 13 | 116 | 1 | 1.533 | 1.584 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrCaPb | COD | 1528700 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.1438 | 0.163 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfTlCuS3 | ICSD | 82562 | Cmcm (63) | ✔ | 12 | 108 | 3 | 0.9041 | 0.911 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr5As3H | COD | 4002404 | P6_3/mcm (193) | ✔ | 18 | 132 | 1 | 0.7644 | 0.836 | 0.000 | (0;000) | ✗ | 30/01/17 |
VAg2PO6 | ICSD | 73580 | C2/m (12) | ✔ | 20 | 152 | 3 | 1.6895 | 1.784 | 0.000 | (0;000) | ✗ | 30/01/17 |
CdSbS2Cl | ICSD | 171722 | Pnma (62) | ✔ | 20 | 144 | 3 | 1.54 | 1.566 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiGaBr3 | ICSD | 61338 | P2_1/m (11) | ✔ | 20 | 148 | 1 | 3.1198 | 3.120 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuHgSeBr | ICSD | 411771 | Pmma (51) | ✔ | 16 | 144 | 3 | 0.8098 | 0.868 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2S | ICSD | 27463 | P6_3/mmc (194) | ✔ | 6 | 48 | 1 | 1.3455 | 1.346 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrFeCl6 | ICSD | 39666 | P-31c (163) | ✔ | 16 | 108 | 2 | 0.7473 | 0.778 | 0.000 | (0;000) | ✗ | 02/02/17 |
MoNCl3 | COD | 1528097 | P-1 (2) | ✔ | 20 | 160 | 2 | 1.7625 | 1.819 | 0.000 | (0;000) | ✗ | 02/02/17 |