▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SrHfO3 | ICSD | 161594 | P4mm (99) | ✗ | 5 | 40 | 3 | 3.9464 | 4.190 | 0.000 | (0;000) | ✗ | 29/11/16 |
LiIO3 | ICSD | 35473 | P6_3 (173) | ✗ | 10 | 56 | 3 | 0.4522 | 0.636 | 0.000 | (0;000) | ✔ | 29/11/16 |
Cu6PbO8 | COD | 2102005 | Fm-3m (225) | ✔ | 15 | 128 | 3 | 0.0 | 0.006 | 0.540 | (0;000) | ✗ | 27/01/17 |
CuF2 | COD | 9009094 | P2_1/c (14) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.422 | (0;000) | ✗ | 27/01/17 |
LiIO3 | ICSD | 35475 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.8193 | 3.892 | 0.000 | (0;000) | ✗ | 29/11/16 |
KCuF3 | ICSD | 9856 | I4/mcm (140) | ✔ | 10 | 82 | 3 | 0.0 | 0.009 | 0.248 | (0;000) | ✗ | 27/01/17 |
KCuF3 | COD | 9006349 | I4/mcm (140) | ✔ | 10 | 82 | 3 | 0.0 | 0.004 | 0.255 | (0;000) | ✗ | 27/01/17 |
RbCuF3 | ICSD | 69656 | I4/mcm (140) | ✔ | 10 | 82 | 3 | 0.0 | 0.004 | 0.236 | (0;000) | ✗ | 27/01/17 |
LiIO3 | ICSD | 40360 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.695 | 3.770 | 0.000 | (0;000) | ✗ | 29/11/16 |
SrCuF4 | ICSD | 9927 | I4/mcm (140) | ✔ | 12 | 98 | 1 | 0.0 | 0.001 | 0.584 | (0;000) | ✗ | 27/01/17 |
K2NaCuF6 | ICSD | 22111 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 0.0 | 0.000 | 0.366 | (0;000) | ✗ | 27/01/17 |
CoAsS | ICSD | 53938 | P2_13 (198) | ✗ | 12 | 80 | 3 | 0.9398 | 1.239 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiIO3 | ICSD | 40361 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7323 | 3.808 | 0.000 | (0;000) | ✗ | 29/11/16 |
FeCuO2 | ICSD | 66546 | P6_3/mmc (194) | ✔ | 8 | 62 | 3 | 0.0 | 0.002 | 0.680 | (0;000) | ✗ | 27/01/17 |
LiIO3 | ICSD | 40362 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7988 | 3.879 | 0.000 | (0;000) | ✗ | 29/11/16 |
CoAsS | ICSD | 69129 | P2_1ab (29) | ✗ | 12 | 80 | 3 | 0.9611 | 1.126 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiIO3 | ICSD | 40364 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7008 | 3.766 | 0.000 | (0;000) | ✗ | 29/11/16 |
LiIO3 | ICSD | 40365 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7008 | 3.766 | 0.000 | (0;000) | ✗ | 29/11/16 |
SrCuTeF | ICSD | 183708 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.3841 | 1.384 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrCuSF | ICSD | 157433 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.4773 | 1.477 | 0.000 | (0;000) | ✗ | 27/01/17 |
Be3N2 | ICSD | 185490 | R3m (160) | ✗ | 5 | 22 | 1 | 2.7756 | 3.816 | 0.000 | (0;000) | ✗ | 06/10/16 |
HfGaCu | ICSD | 627409 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.002 | 0.401 | (0;000) | ✗ | 27/01/17 |
GaCuO2 | ICSD | 60846 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.9088 | 1.630 | 0.000 | (0;000) | ✗ | 27/01/17 |
GaCuO2 | COD | 1531589 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.837 | 1.525 | 0.000 | (0;000) | ✗ | 27/01/17 |
KNbO3 | ICSD | 190921 | P4mm (99) | ✗ | 5 | 40 | 3 | 1.5793 | 2.391 | 0.000 | (0;000) | ✗ | 29/11/16 |
ZrGaCu | ICSD | 627583 | P6_3/mmc (194) | ✔ | 6 | 56 | 3 | 0.0 | 0.005 | 0.398 | (0;000) | ✗ | 27/01/17 |
NaAlO2 | ICSD | 22216 | R-3m (166) | ✔ | 4 | 24 | 2 | 4.9533 | 5.037 | 0.000 | (0;000) | ✗ | 05/01/17 |
KNbO3 | ICSD | 9532 | P4mm (99) | ✗ | 5 | 40 | 3 | 1.5819 | 2.398 | 0.000 | (0;000) | ✗ | 29/11/16 |
KNbO3 | ICSD | 9535 | P4mm (99) | ✗ | 5 | 40 | 3 | 1.5687 | 2.384 | 0.000 | (0;000) | ✗ | 29/11/16 |
CuAsS | ICSD | 23826 | P2_1cn (33) | ✗ | 12 | 88 | 3 | 0.0 | 0.140 | 0.063 | (0;000) | ✔ | 06/10/16 |
MgCuGe | ICSD | 627730 | P4/nmm (129) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.761 | (0;000) | ✗ | 27/01/17 |
AgF | COD | 9008598 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.869 | 0.118 | (0;000) | ✗ | 05/01/17 |
Ag | COD | 1509145 | P6_3/mmc (194) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.772 | (0;000) | ✗ | 05/01/17 |
HCO2 | COD | 4507991 | P2_1/c (14) | ✔ | 16 | 68 | 1 | 3.2517 | 3.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlN | ICSD | 181066 | F-43m (216) | ✗ | 2 | 8 | 3 | 3.3052 | 4.020 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuAsSe2 | ICSD | 42884 | R3m (160) | ✗ | 4 | 28 | 3 | 0.0 | 0.298 | 0.023 | (0;000) | ✔ | 06/10/16 |
Al2O | ICSD | 28919 | Fm-3m (225) | ✔ | 3 | 12 | 3 | 0.0 | 0.005 | 0.231 | (0;000) | ✗ | 05/01/17 |
Al2Ru | ICSD | 609234 | I4/mmm (139) | ✔ | 3 | 22 | 3 | 0.0 | 0.028 | 0.615 | (0;000) | ✗ | 05/01/17 |
Be5Pt | ICSD | 616395 | F-43m (216) | ✗ | 6 | 30 | 1 | 0.0 | 0.584 | 0.071 | (0;000) | ✔ | 06/10/16 |
AlCo | ICSD | 187973 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 0.0 | 0.027 | 0.322 | (0;000) | ✗ | 05/01/17 |
InCuO2 | COD | 1521924 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.441 | 0.804 | 0.000 | (0;000) | ✗ | 27/01/17 |
InCuO2 | COD | 1531594 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.1846 | 0.515 | 0.000 | (0;000) | ✗ | 27/01/17 |
InCuPt2 | ICSD | 108380 | P4/mmm (123) | ✔ | 4 | 44 | 3 | 0.0 | 0.002 | 0.230 | (0;000) | ✗ | 27/01/17 |
KCuO2 | COD | 1530993 | Cmcm (63) | ✔ | 8 | 64 | 2 | 0.923 | 1.302 | 0.000 | (0;000) | ✗ | 27/01/17 |
KCuSe | COD | 7221372 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.242 | 0.242 | 0.000 | (0;000) | ✗ | 27/01/17 |
KCuTe | COD | 7221373 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.5401 | 0.540 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiCuO2 | ICSD | 74978 | C2/m (12) | ✔ | 4 | 26 | 2 | 0.4034 | 0.819 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlIr | ICSD | 608241 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 0.0 | 0.099 | 0.273 | (0;000) | ✗ | 05/01/17 |
LiCuO | ICSD | 40156 | I4/mmm (139) | ✔ | 12 | 80 | 3 | 1.5296 | 1.711 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgCuP | ICSD | 8221 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.480 | 0.019 | (0;000) | ✗ | 27/01/17 |
Mn2CuO4 | COD | 1530385 | Fd-3m (227) | ✔ | 14 | 130 | 3 | 0.0 | 0.000 | 0.868 | (0;000) | ✗ | 27/01/17 |
MnCuO2 | COD | 9011834 | C2/m (12) | ✔ | 4 | 38 | 3 | 0.0 | 0.040 | 0.274 | (0;000) | ✗ | 27/01/17 |
GaP | ICSD | 103795 | F-43m (216) | ✗ | 2 | 18 | 3 | 1.5678 | 1.791 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiAlO2 | COD | 9009880 | R-3m (166) | ✔ | 4 | 18 | 2 | 6.4953 | 6.634 | 0.000 | (0;000) | ✗ | 05/01/17 |
GaP | ICSD | 190425 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 1.3812 | 1.457 | 0.000 | (0;000) | ✗ | 06/10/16 |
TaCuN2 | COD | 4030363 | R-3m (166) | ✔ | 4 | 34 | 3 | 0.8763 | 1.447 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2CuP | COD | 7221368 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.6224 | 0.756 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na5CuSO2 | ICSD | 412977 | P4/mmm (123) | ✔ | 9 | 74 | 1 | 1.5015 | 1.594 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaCuO2 | COD | 1529687 | C2/m (12) | ✔ | 4 | 32 | 2 | 0.5401 | 0.941 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaCuO | COD | 1527531 | I4/m (87) | ✔ | 12 | 104 | 3 | 1.2829 | 1.388 | 0.000 | (0;000) | ✗ | 27/01/17 |
GaAsO4 | ICSD | 423937 | C222_1 (20) | ✗ | 12 | 84 | 3 | 2.5122 | 2.512 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaCuTe | COD | 7221371 | P4/nmm (129) | ✔ | 6 | 52 | 1 | 0.4336 | 0.434 | 0.000 | (0;000) | ✗ | 27/01/17 |
KSnAs | ICSD | 40815 | Ccm2_1 (36) | ✗ | 6 | 56 | 0 | 0.4164 | 0.458 | 0.000 | (0;000) | ✔ | 06/10/16 |
KSnAs | ICSD | 610765 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.5034 | 0.530 | 0.000 | (0;000) | ✗ | 06/10/16 |
HfBe2 | ICSD | 616288 | P6/mmm (191) | ✔ | 3 | 20 | 1 | 0.0 | 0.009 | 0.660 | (0;000) | ✗ | 05/01/17 |
TiCuNi2 | ICSD | 628580 | Pmmn (59) | ✔ | 8 | 86 | 3 | 0.0 | 0.000 | 0.801 | (0;000) | ✗ | 27/01/17 |
RbCuO2 | COD | 1527506 | Cmcm (63) | ✔ | 8 | 64 | 2 | 0.9467 | 1.340 | 0.000 | (0;000) | ✗ | 27/01/17 |
CuRhO2 | COD | 1008162 | R-3m (166) | ✔ | 4 | 40 | 3 | 0.9783 | 1.390 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScCuO2 | ICSD | 65547 | R-3m (166) | ✔ | 4 | 34 | 3 | 2.0799 | 2.080 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScCuO2 | COD | 4000157 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 2.3272 | 2.327 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mg(BeN)2 | ICSD | 413358 | P-3m1 (164) | ✔ | 5 | 28 | 1 | 4.042 | 4.949 | 0.000 | (0;000) | ✗ | 05/01/17 |
YCuO2 | ICSD | 60848 | R-3m (166) | ✔ | 4 | 34 | 3 | 2.648 | 2.678 | 0.000 | (0;000) | ✗ | 27/01/17 |
YCuO2 | COD | 1531596 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 2.6666 | 2.667 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaF2 | ICSD | 41651 | P6_3/mmc (194) | ✔ | 6 | 48 | 2 | 5.7976 | 6.002 | 0.000 | (0;000) | ✗ | 05/01/17 |
VCuO3 | COD | 1530636 | R-3 (148) | ✔ | 10 | 84 | 3 | 0.6355 | 0.683 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cu(RhO2)2 | ICSD | 88962 | Fd-3m (227) | ✔ | 14 | 138 | 3 | 0.0 | 0.000 | 0.923 | (0;000) | ✗ | 27/01/17 |
KSnAs | ICSD | 65413 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.4164 | 0.458 | 0.000 | (0;000) | ✔ | 06/10/16 |
CuSeO4 | ICSD | 109073 | Cmcm (63) | ✔ | 12 | 82 | 3 | 0.0 | 0.000 | 0.640 | (0;000) | ✗ | 27/01/17 |
NaBeH3 | COD | 4343940 | Pm-3m (221) | ✔ | 5 | 16 | 1 | 1.0974 | 4.012 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cu(SbO3)2 | ICSD | 84789 | P4_2/mnm (136) | ✔ | 18 | 114 | 3 | 0.0 | 0.000 | 0.877 | (0;000) | ✗ | 27/01/17 |
KZnAs | ICSD | 43985 | P-6m2 (187) | ✗ | 3 | 26 | 2 | 0.2099 | 0.326 | 0.000 | (0;000) | ✔ | 06/10/16 |
BeNi | ICSD | 616363 | Pm-3m (221) | ✔ | 2 | 14 | 3 | 0.0 | 0.033 | 0.428 | (0;000) | ✗ | 05/01/17 |
CuP2 | ICSD | 628625 | P2_1/c (14) | ✔ | 12 | 84 | 2 | 0.8546 | 0.855 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiAsS2 | ICSD | 419061 | Cc (9) | ✗ | 8 | 40 | 1 | 1.0844 | 1.085 | 0.000 | (0;000) | ✗ | 06/10/16 |
BePd | COD | 9008808 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.053 | 0.538 | (0;000) | ✗ | 05/01/17 |
SrCuP | ICSD | 53323 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.540 | 0.110 | (0;000) | ✗ | 27/01/17 |
BeSe | ICSD | 53934 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 0.0 | 2.642 | 0.027 | (0;000) | ✗ | 05/01/17 |
LiAsSe2 | ICSD | 248116 | Cc (9) | ✗ | 8 | 40 | 1 | 0.6983 | 0.797 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrCuSb | ICSD | 53339 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.386 | 0.132 | (0;000) | ✗ | 27/01/17 |
BN | ICSD | 186248 | P6_3/mmc (194) | ✔ | 4 | 16 | 2 | 3.5701 | 3.601 | 0.000 | (0;000) | ✗ | 27/01/17 |
KHCO3 | COD | 9010242 | P-1 (2) | ✔ | 12 | 64 | 1 | 5.7378 | 5.871 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2CuP | COD | 4000338 | P6_3/mmc (194) | ✔ | 8 | 44 | 2 | 0.0 | 0.718 | 0.239 | (0;000) | ✗ | 27/01/17 |
CuSe2 | COD | 9012554 | Pnnm (58) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.942 | (0;000) | ✗ | 27/01/17 |
GaSb | ICSD | 190426 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0 | 0.008 | 0.010 | (0;000) | ✔ | 06/10/16 |
BN | COD | 1010331 | P6/mmm (191) | ✔ | 4 | 16 | 2 | 0.0 | 0.000 | 0.351 | (0;000) | ✗ | 27/01/17 |
YSiCu | ICSD | 30772 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.007 | 0.344 | (0;000) | ✗ | 27/01/17 |
LiAsSe2 | ICSD | 248118 | P-1 (2) | ✔ | 8 | 40 | 1 | 0.0 | 0.096 | 0.008 | (0;000) | ✗ | 06/10/16 |
BN | COD | 2016173 | P6_3/mmc (194) | ✔ | 4 | 16 | 2 | 4.1848 | 4.579 | 0.000 | (0;000) | ✗ | 27/01/17 |
BiBr3 | ICSD | 100294 | C2/m (12) | ✔ | 8 | 72 | 2 | 2.0254 | 2.057 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaO2 | ICSD | 180398 | Cmmm (65) | ✔ | 3 | 22 | 2 | 0.6441 | 1.164 | 0.000 | (0;000) | ✗ | 05/01/17 |