▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CoAsS | ICSD | 44607 | P2_1/c (14) | ✔ | 12 | 112 | 3 | 0.0 | 0.019 | 0.303 | (0;000) | ✗ | 05/01/17 |
V5P3 | ICSD | 648274 | P6_3/mcm (193) | ✔ | 16 | 160 | 3 | 0.0 | 0.001 | 0.602 | (0;000) | ✗ | 27/01/17 |
TlBrO3 | ICSD | 76966 | R3m (160) | ✗ | 5 | 38 | 1 | 2.7769 | 2.778 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li2S | ICSD | 91283 | P2_1nb (33) | ✗ | 12 | 48 | 1 | 2.808 | 3.650 | 0.000 | (0;000) | ✗ | 06/10/16 |
PdPb2 | COD | 1524520 | I4/mcm (140) | ✔ | 6 | 92 | 3 | 0.0 | 0.009 | 0.603 | (0;000) | ✗ | 27/01/17 |
CsAsF6 | ICSD | 408070 | R-3 (148) | ✔ | 8 | 56 | 1 | 6.2483 | 6.248 | 0.000 | (0;000) | ✗ | 05/01/17 |
KBrO3 | ICSD | 47173 | R3m (160) | ✗ | 5 | 34 | 1 | 3.909 | 3.909 | 0.000 | (0;000) | ✗ | 06/10/16 |
YPb2 | COD | 1523371 | Cmcm (63) | ✔ | 6 | 78 | 3 | 0.0 | 0.000 | 0.685 | (0;000) | ✗ | 27/01/17 |
SbSBr | ICSD | 88587 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.6228 | 1.792 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li2CuAs | ICSD | 43938 | P6_3/mmc (194) | ✔ | 8 | 44 | 2 | 0.0 | 0.467 | 0.219 | (0;000) | ✗ | 05/01/17 |
Pb | COD | 9012004 | Fm-3m (225) | ✔ | 1 | 14 | 3 | 0.0 | 1.012 | 0.559 | (0;000) | ✗ | 27/01/17 |
CdCl2 | COD | 9009125 | R-3m (166) | ✔ | 3 | 26 | 2 | 3.401 | 3.597 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsCdCl3 | COD | 1010123 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 1.8314 | 2.333 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiPt5Pb | ICSD | 648402 | P4/mmm (123) | ✔ | 7 | 68 | 3 | 0.0 | 0.004 | 0.374 | (0;000) | ✗ | 27/01/17 |
CdTe | ICSD | 246692 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.0 | 0.131 | 0.244 | (0;000) | ✗ | 27/01/17 |
PtPb | COD | 1522617 | P6_3/mmc (194) | ✔ | 4 | 48 | 3 | 0.0 | 0.032 | 0.702 | (0;000) | ✗ | 27/01/17 |
Na2CuAs | ICSD | 43937 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.6081 | 0.674 | 0.000 | (0;000) | ✗ | 05/01/17 |
PbSe2 | ICSD | 174577 | I4/mcm (140) | ✔ | 6 | 52 | 3 | 0.0 | 0.110 | 0.122 | (0;000) | ✗ | 27/01/17 |
NbBr2O | ICSD | 416669 | C2 (5) | ✗ | 8 | 66 | 2 | 0.7552 | 0.860 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbSe | COD | 9008695 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.2077 | 0.208 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrCuAs | ICSD | 107943 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.185 | 0.079 | (0;000) | ✗ | 05/01/17 |
PbS | COD | 9013400 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.0 | 0.122 | 0.020 | (0;000) | ✗ | 27/01/17 |
AsF5 | ICSD | 65477 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 5.6073 | 5.607 | 0.000 | (0;000) | ✗ | 05/01/17 |
InAsF6 | ICSD | 417952 | R-3 (148) | ✔ | 8 | 60 | 1 | 4.2374 | 4.350 | 0.000 | (0;000) | ✗ | 05/01/17 |
KAsF6 | COD | 2310606 | R-3m (166) | ✔ | 8 | 56 | 1 | 3.9593 | 3.959 | 0.000 | (0;000) | ✗ | 05/01/17 |
Pb4SeBr6 | ICSD | 21039 | Imm2 (44) | ✗ | 11 | 104 | 3 | 0.9075 | 0.993 | 0.000 | (0;000) | ✗ | 06/10/16 |
TePb | COD | 9008696 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.1189 | 0.119 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb3SBr7 | ICSD | 81078 | P3m1 (156) | ✗ | 11 | 94 | 2 | 0.7653 | 0.766 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr(SbPd)2 | ICSD | 61195 | I4/mmm (139) | ✔ | 5 | 56 | 3 | 0.0 | 0.008 | 0.775 | (0;000) | ✗ | 27/01/17 |
Sr(SiPd)2 | ICSD | 648864 | I4/mmm (139) | ✔ | 5 | 54 | 3 | 0.0 | 0.020 | 0.692 | (0;000) | ✗ | 27/01/17 |
SnPd2 | ICSD | 42595 | Pnma (62) | ✔ | 12 | 200 | 3 | 0.0 | 0.027 | 0.491 | (0;000) | ✗ | 27/01/17 |
SrPd2 | COD | 1523821 | Fd-3m (227) | ✔ | 6 | 92 | 3 | 0.0 | 0.000 | 0.310 | (0;000) | ✗ | 27/01/17 |
LiAsF6 | ICSD | 74831 | R-3 (148) | ✔ | 8 | 50 | 1 | 5.5912 | 5.598 | 0.000 | (0;000) | ✗ | 05/01/17 |
ZnPd2 | ICSD | 649139 | Pnma (62) | ✔ | 12 | 192 | 3 | 0.0 | 0.009 | 0.364 | (0;000) | ✗ | 27/01/17 |
NaAsF6 | ICSD | 184565 | Fm-3m (225) | ✔ | 8 | 56 | 1 | 6.3822 | 6.382 | 0.000 | (0;000) | ✗ | 05/01/17 |
AsS2NF6 | ICSD | 62120 | C2/m (12) | ✔ | 10 | 64 | 1 | 2.5737 | 2.574 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ta3SBr7 | ICSD | 51101 | Cm (8) | ✗ | 11 | 94 | 2 | 0.7877 | 0.789 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbAsF6 | ICSD | 408069 | R-3 (148) | ✔ | 8 | 56 | 1 | 6.0558 | 6.056 | 0.000 | (0;000) | ✗ | 05/01/17 |
TlAsF6 | ICSD | 417954 | R-3 (148) | ✔ | 8 | 60 | 1 | 5.1421 | 5.237 | 0.000 | (0;000) | ✗ | 05/01/17 |
Te2Pd3 | ICSD | 87915 | Cmcm (63) | ✔ | 10 | 132 | 3 | 0.0 | 0.011 | 0.630 | (0;000) | ✗ | 27/01/17 |
AgCN | ICSD | 85783 | R3m (160) | ✗ | 3 | 20 | 1 | 2.5177 | 3.110 | 0.000 | (0;000) | ✗ | 06/10/16 |
GeAs | ICSD | 610598 | C2/m (12) | ✔ | 12 | 54 | 3 | 0.3183 | 0.347 | 0.000 | (0;000) | ✔ | 06/10/16 |
CF4 | ICSD | 2848 | C2/c (15) | ✔ | 10 | 64 | 1 | 9.4116 | 9.472 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrPd5 | COD | 1523822 | P6/mmm (191) | ✔ | 6 | 100 | 3 | 0.0 | 0.003 | 0.597 | (0;000) | ✗ | 27/01/17 |
Pd | COD | 1512531 | Fm-3m (225) | ✔ | 1 | 18 | 3 | 0.0 | 0.000 | 0.584 | (0;000) | ✗ | 27/01/17 |
Rb2PdSe2 | ICSD | 648724 | Immm (71) | ✔ | 5 | 48 | 1 | 0.9267 | 1.384 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2Te2Pd | ICSD | 648727 | Immm (71) | ✔ | 5 | 48 | 1 | 0.5801 | 1.185 | 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 |
MgO | ICSD | 161842 | P6_3mc (186) | ✗ | 4 | 32 | 3 | 3.6457 | 3.646 | 0.000 | (0;000) | ✗ | 06/10/16 |
AuCN | ICSD | 165173 | P6mm (183) | ✗ | 3 | 20 | 3 | 0.0 | 0.997 | 0.042 | (0;000) | ✔ | 06/10/16 |