▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PdF2 | COD | 2310524 | P4_2/mnm (136) | ✔ | 6 | 64 | 3 | 0.0 | 0.058 | 0.500 | (0;000) | ✗ | 27/01/17 |
KNbF6 | COD | 2310528 | P-4c2 (116) | ✗ | 16 | 128 | 3 | 2.9122 | 2.918 | 0.000 | (0;000) | ✗ | 22/03/17 |
TaSe2 | COD | 2310532 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.841 | (0;001) | ✗ | 27/01/17 |
NbSe2 | COD | 2310534 | P-6m2 (187) | ✗ | 12 | 100 | 1 | 0.0 | 0.000 | 0.950 | ? | ✗ | 29/03/17 |
Te3As2 | COD | 2310540 | C2/m (12) | ✔ | 10 | 56 | 2 | 0.3628 | 0.398 | 0.000 | (0;000) | ✗ | 30/01/17 |
BaTiS3 | COD | 2310546 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.019 | 0.133 | (0;000) | ✗ | 02/02/17 |
PbCN2 | COD | 2310547 | Pna2_1 (33) | ✗ | 16 | 112 | 2 | 1.6961 | 1.912 | 0.000 | (0;000) | ✗ | 22/03/17 |
RbPO3 | COD | 2310557 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 5.46 | 5.460 | 0.000 | (0;000) | ✗ | 02/02/17 |
Fe(CO)5 | COD | 2310564 | C2/c (15) | ✔ | 22 | 116 | 2 | 3.6826 | 3.720 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaSO2 | COD | 2310568 | P2/c (13) | ✔ | 16 | 108 | 1 | 2.6817 | 2.684 | 0.000 | (0;000) | ✗ | 02/02/17 |
CoSO4 | COD | 2310569 | P2_1/m (11) | ✔ | 12 | 94 | 1 | 0.0 | 0.001 | 0.773 | (1;010) | ✗ | 02/02/17 |
As(CN)3 | COD | 2310572 | C2 (5) | ✗ | 14 | 64 | 1 | 4.5336 | 4.574 | 0.000 | (0;000) | ✗ | 21/03/17 |
NbSb2 | COD | 2310580 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.030 | 0.174 | (0;111) | ✗ | 27/01/17 |
SiC | COD | 2310588 | R3m (160) | ✗ | 16 | 64 | 3 | 1.6136 | 2.745 | 0.000 | (0;000) | ✗ | 22/03/17 |
PdS2 | COD | 2310589 | Pbca (61) | ✔ | 12 | 120 | 2 | 0.0 | 0.960 | 0.076 | (0;000) | ✗ | 02/02/17 |
BaTi2O5 | COD | 2310593 | C2/m (12) | ✔ | 24 | 192 | 3 | 0.0 | 0.006 | 0.420 | (1;000) | ✗ | 04/08/17 |
CNCl | COD | 2310595 | Pmmn (59) | ✔ | 6 | 32 | 1 | 5.9059 | 6.068 | 0.000 | (0;000) | ✗ | 27/01/17 |
CoF3 | COD | 2310597 | R-3c (167) | ✔ | 8 | 76 | 3 | 0.1224 | 0.146 | 0.000 | (0;000) | ✗ | 27/01/17 |
RuF3 | COD | 2310598 | R-3c (167) | ✔ | 8 | 74 | 3 | 0.0 | 0.000 | 0.240 | (0;000) | ✗ | 27/01/17 |
RhF3 | COD | 2310599 | R-3c (167) | ✔ | 8 | 76 | 3 | 0.8988 | 1.057 | 0.000 | (0;000) | ✗ | 27/01/17 |
PdF3 | COD | 2310600 | R-3c (167) | ✔ | 8 | 78 | 3 | 0.0 | 0.000 | 0.662 | (0;000) | ✗ | 27/01/17 |
IrF3 | COD | 2310601 | R-3c (167) | ✔ | 8 | 76 | 3 | 1.079 | 1.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiAsO3 | COD | 2310602 | C2/c (15) | ✔ | 20 | 104 | 1 | 3.7525 | 3.801 | 0.000 | (0;000) | ✗ | 30/01/17 |
KAsF6 | COD | 2310606 | R-3m (166) | ✔ | 8 | 56 | 1 | 3.9593 | 3.959 | 0.000 | (0;000) | ✗ | 05/01/17 |
Al4CO4 | COD | 2310612 | Cmc2_1 (36) | ✗ | 18 | 80 | 3 | 3.8694 | 3.958 | 0.000 | (0;000) | ✗ | 21/03/17 |
TiCdO3 | COD | 2310616 | Pna2_1 (33) | ✗ | 20 | 168 | 3 | 1.9899 | 1.990 | 0.000 | (0;000) | ✗ | 22/03/17 |
CaTiO3 | COD | 2310618 | Pnma (62) | ✔ | 20 | 160 | 3 | 2.2046 | 2.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiWO4 | COD | 2310619 | P2/c (13) | ✔ | 12 | 124 | 3 | 0.0 | 0.037 | 0.108 | (1;000) | ✗ | 11/04/17 |
K2S2O5 | COD | 2310629 | P2_1/m (11) | ✔ | 18 | 120 | 1 | 3.6861 | 3.745 | 0.000 | (0;000) | ✗ | 02/02/17 |
InPO4 | COD | 2310636 | Cmcm (63) | ✔ | 12 | 84 | 3 | 2.9447 | 3.247 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlPO4 | COD | 2310637 | Cmcm (63) | ✔ | 12 | 84 | 3 | 1.5218 | 1.905 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScPO4 | COD | 2310638 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 4.4694 | 4.641 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiSO4 | COD | 2310652 | Cmcm (63) | ✔ | 12 | 80 | 3 | 0.0 | 0.010 | 0.096 | (0;000) | ✗ | 27/01/17 |
KClO3 | COD | 2310654 | Pnma (62) | ✔ | 20 | 136 | 1 | 3.1985 | 3.200 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg2ClO | COD | 2310659 | C2/c (15) | ✔ | 16 | 148 | 3 | 1.3653 | 1.404 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb3Te4 | COD | 2310663 | P6_3/m (176) | ✔ | 14 | 126 | 3 | 0.0 | 0.000 | 0.974 | (0;000) | ✗ | 02/02/17 |
TiSiNi | COD | 2310665 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.016 | 0.137 | (1;000) | ✗ | 27/01/17 |
KBrF4 | COD | 2310667 | I4/mcm (140) | ✔ | 12 | 88 | 1 | 0.0 | 0.016 | 0.097 | (0;000) | ✗ | 02/02/17 |
Cs2CdCl4 | COD | 2310671 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 3.4013 | 3.913 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrGe2 | COD | 2310672 | Cmcm (63) | ✔ | 6 | 24 | 3 | 0.0 | 0.008 | 0.223 | (1;110) | ✗ | 27/01/17 |
HfGe2 | COD | 2310673 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.016 | 0.222 | (1;000) | ✗ | 27/01/17 |
BeO | COD | 2310674 | P4_2/mnm (136) | ✔ | 8 | 40 | 1 | 6.9696 | 6.970 | 0.000 | (0;000) | ✗ | 05/01/17 |
LiV3O8 | COD | 2310690 | P2_1/m (11) | ✔ | 24 | 180 | 3 | 1.2762 | 1.447 | 0.000 | (0;000) | ✗ | 04/08/17 |
ZnP2 | COD | 2310696 | P4_12_12 (92) | ✗ | 24 | 176 | 3 | 1.4864 | 1.617 | 0.000 | (0;000) | ✗ | 04/08/17 |
SNF | COD | 2310697 | P-42_1c (114) | ✗ | 24 | 144 | 1 | 3.5409 | 3.846 | 0.000 | (0;000) | ✗ | 04/08/17 |
MnAs | COD | 2310698 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.017 | 0.497 | (0;000) | ✗ | 05/01/17 |
LiBO2 | COD | 2310701 | P2_1/c (14) | ✔ | 16 | 72 | 1 | 5.6407 | 5.641 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2CO3 | COD | 2310703 | C2/c (15) | ✔ | 12 | 56 | 1 | 5.282 | 5.417 | 0.000 | (0;000) | ✗ | 27/01/17 |
Al2Zn3O6 | COD | 3000024 | Pm (6) | ✗ | 11 | 78 | 3 | 1.7357 | 1.795 | 0.000 | (0;000) | ✗ | 15/02/17 |
CaAl4O7 | COD | 3500014 | C2/c (15) | ✔ | 24 | 128 | 3 | 4.1612 | 4.161 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ti2Sn3 | COD | 4000005 | Cmce (64) | ✔ | 20 | 264 | 3 | 0.0 | 0.010 | 0.504 | (1;110) | ✗ | 29/03/17 |
ZrTiAs | COD | 4000091 | I4/mmm (139) | ✔ | 6 | 42 | 3 | 0.0 | 0.002 | 0.514 | (0;111) | ✗ | 05/01/17 |
ScCuO2 | COD | 4000157 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 2.3272 | 2.327 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe2P2O7 | COD | 4000291 | P2_1/c (14) | ✔ | 22 | 136 | 3 | 0.4683 | 0.487 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li2CuP | COD | 4000338 | P6_3/mmc (194) | ✔ | 8 | 44 | 2 | 0.0 | 0.718 | 0.239 | (0;000) | ✗ | 27/01/17 |
RuBr3 | COD | 4000456 | Pmmn (59) | ✔ | 16 | 148 | 1 | 0.0 | 0.128 | 0.380 | (0;000) | ✗ | 02/02/17 |
RuBr3 | COD | 4000457 | P6_3/mcm (193) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.768 | (0;000) | ✗ | 02/02/17 |
TlIn(PSe3)2 | COD | 4000513 | P-1 (2) | ✔ | 20 | 144 | 3 | 1.4879 | 1.591 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiTlPS5 | COD | 4000515 | P-1 (2) | ✔ | 16 | 120 | 2 | 1.0432 | 1.122 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlPAuSe3 | COD | 4000517 | C2/m (12) | ✔ | 12 | 94 | 1 | 0.8936 | 1.034 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2Cu2SnS4 | COD | 4000522 | Ibam (72) | ✔ | 18 | 172 | 2 | 0.3271 | 0.656 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sn2P2O7 | COD | 4000543 | P2_1/c (14) | ✔ | 22 | 160 | 3 | 2.4732 | 2.493 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaAg2SnSe4 | COD | 4000566 | I222 (23) | ✗ | 8 | 70 | 3 | 0.0 | 0.526 | 0.035 | (0;000) | ✔ | 16/03/17 |
Tl2CdGeTe4 | COD | 4000657 | I-42m (121) | ✗ | 8 | 66 | 3 | 0.0 | 0.139 | 0.086 | (0;000) | ✔ | 22/03/17 |
Tl2CdSnTe4 | COD | 4000658 | I-42m (121) | ✗ | 8 | 76 | 3 | 0.0 | 0.255 | 0.021 | (0;000) | ✔ | 22/03/17 |
Tl2HgGeTe4 | COD | 4000659 | I-42m (121) | ✗ | 8 | 66 | 3 | 0.0 | 0.076 | 0.127 | (0;000) | ✔ | 11/04/17 |
Tl2SnHgTe4 | COD | 4000660 | I-42m (121) | ✗ | 8 | 76 | 3 | 0.0 | 0.159 | 0.086 | (0;000) | ✔ | 29/03/17 |
CuWO4 | COD | 4000807 | P2/c (13) | ✔ | 12 | 126 | 3 | 0.0 | 0.000 | 0.602 | (0;000) | ✗ | 11/04/17 |
CuWO4 | COD | 4000809 | P-1 (2) | ✔ | 12 | 126 | 3 | 0.0 | 0.030 | 0.340 | (1;011) | ✗ | 11/04/17 |
Tl2Hg3S4 | COD | 4000817 | C2/c (15) | ✔ | 18 | 172 | 3 | 1.5047 | 1.601 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2Hg3Se4 | COD | 4000818 | C2/c (15) | ✔ | 18 | 172 | 3 | 1.0186 | 1.019 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2Hg3Te4 | COD | 4000819 | C2/c (15) | ✔ | 18 | 172 | 3 | 0.3354 | 0.335 | 0.000 | (0;000) | ✗ | 29/03/17 |
MoPO5 | COD | 4000897 | Cc (9) | ✗ | 14 | 98 | 3 | 0.0 | 0.000 | 0.629 | ? | ✗ | 15/02/17 |
CaMgSi | COD | 4000954 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.012 | 0.072 | (0;000) | ✗ | 02/02/17 |
Sc6WO12 | COD | 4001209 | R-3 (148) | ✔ | 19 | 152 | 3 | 2.3576 | 2.422 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2TeS3 | COD | 4001280 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.0895 | 1.190 | 0.000 | (0;000) | ✗ | 04/08/17 |
SnB4O7 | COD | 4001283 | Pmn2_1 (31) | ✗ | 24 | 136 | 3 | 3.5975 | 4.248 | 0.000 | (0;000) | ✗ | 04/08/17 |
SrMoO4 | COD | 4001306 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 3.7616 | 3.762 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr(SiPd)3 | COD | 4001641 | Cmcm (63) | ✔ | 14 | 140 | 3 | 0.0 | 0.010 | 0.671 | (1;000) | ✗ | 02/02/17 |
Ca(CuS)2 | COD | 4001658 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 1.0638 | 1.064 | 0.000 | (0;000) | ✗ | 27/01/17 |
VAg3O4 | COD | 4001677 | C2/c (15) | ✔ | 16 | 140 | 3 | 0.8865 | 1.160 | 0.000 | (0;000) | ✗ | 30/01/17 |
Li2SnSe3 | COD | 4001782 | Cc (9) | ✗ | 12 | 76 | 1 | 1.4145 | 1.415 | 0.000 | (0;000) | ✗ | 29/03/17 |
Tl6SI4 | COD | 4001792 | P4/mnc (128) | ✔ | 22 | 224 | 3 | 1.2812 | 1.281 | 0.000 | (0;000) | ✗ | 07/08/17 |
Ga4SnS7 | COD | 4001920 | Pc (7) | ✗ | 24 | 216 | 3 | 2.3502 | 2.560 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ga4SnSe7 | COD | 4001921 | Pc (7) | ✗ | 24 | 216 | 3 | 1.7428 | 1.744 | 0.000 | (0;000) | ✗ | 04/08/17 |
MoSCl3 | COD | 4002054 | C2/c (15) | ✔ | 20 | 164 | 1 | 0.0 | 0.001 | 0.450 | (1;110) | ✗ | 02/02/17 |
MoSeCl3 | COD | 4002056 | C2/c (15) | ✔ | 20 | 164 | 1 | 0.0 | 0.005 | 0.471 | (1;110) | ✗ | 02/02/17 |
Li2SnS3 | COD | 4002128 | C2/c (15) | ✔ | 24 | 152 | 2 | 1.5363 | 1.546 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ca2GePd2 | COD | 4002144 | Fdd2 (43) | ✗ | 10 | 120 | 3 | 0.0 | 0.051 | 0.309 | (0;000) | ✔ | 11/04/17 |
Ca2GePt2 | COD | 4002145 | C2/c (15) | ✔ | 10 | 88 | 3 | 0.0 | 0.058 | 0.556 | (0;000) | ✗ | 02/02/17 |
Ca2AlPd2 | COD | 4002146 | C2/c (15) | ✔ | 10 | 118 | 3 | 0.0 | 0.000 | 0.504 | (0;011) | ✗ | 30/01/17 |
Ca2AlPt2 | COD | 4002147 | C2/c (15) | ✔ | 10 | 86 | 3 | 0.0 | 0.000 | 0.347 | (0;101) | ✗ | 30/01/17 |
Cs2Hg3S4 | COD | 4002165 | Ibam (72) | ✔ | 18 | 156 | 2 | 1.8841 | 1.884 | 0.000 | (0;000) | ✗ | 22/03/17 |
NbBRu | COD | 4002175 | Pmma (51) | ✔ | 18 | 192 | 3 | 0.0 | 0.003 | 0.685 | (0;110) | ✗ | 02/02/17 |
Sr(NiP2)2 | COD | 4002218 | Fddd (70) | ✔ | 14 | 100 | 2 | 0.0 | 0.006 | 0.534 | (1;111) | ✗ | 02/02/17 |
Na2Mn3O7 | COD | 4002329 | P-1 (2) | ✔ | 24 | 210 | 3 | 0.0 | 0.003 | 0.553 | (0;010) | ✗ | 04/08/17 |
Sn(Mo2O3)2 | COD | 4002342 | P4/mbm (127) | ✔ | 22 | 212 | 3 | 0.0 | 0.012 | 0.775 | (1;000) | ✗ | 07/08/17 |
Zr5AlSn3 | COD | 4002357 | P6_3/mcm (193) | ✔ | 18 | 130 | 3 | 0.0 | 0.000 | 0.755 | (1;000) | ✗ | 30/01/17 |
Zr5GaSn3 | COD | 4002358 | P6_3/mcm (193) | ✔ | 18 | 150 | 3 | 0.0 | 0.000 | 0.788 | (1;000) | ✗ | 02/02/17 |
GaBiO3 | COD | 4002370 | Pcca (54) | ✔ | 20 | 184 | 3 | 1.8816 | 1.936 | 0.000 | (0;000) | ✗ | 02/02/17 |