▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TlPt2S3 | ICSD | 78784 | P-3m1 (164) | ✔ | 12 | 102 | 2 | 0.7331 | 0.783 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuSe2Br | ICSD | 410004 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.8528 | 0.925 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2Ru3O10 | COD | 1004145 | C2/m (12) | ✔ | 15 | 128 | 2 | 0.0 | 0.021 | 0.453 | (0;000) | ✗ | 27/01/17 |
PtO2 | ICSD | 76431 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.3483 | 0.567 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbScO2 | ICSD | 31959 | R-3m (166) | ✔ | 4 | 32 | 2 | 3.1509 | 3.502 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbScO2 | COD | 1528203 | P6_3/mmc (194) | ✔ | 8 | 64 | 2 | 3.4955 | 3.922 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca3Cu2(ClO2)2 | ICSD | 80546 | I4/mmm (139) | ✔ | 11 | 90 | 2 | 0.0 | 0.001 | 0.970 | (0;000) | ✗ | 21/03/17 |
Sb2S3 | COD | 9007243 | Pnma (62) | ✔ | 20 | 112 | 2 | 1.0863 | 1.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbSeO3 | COD | 1526029 | P2_1/m (11) | ✔ | 10 | 76 | 2 | 2.6043 | 2.604 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaTlS3 | ICSD | 412385 | Pnma (62) | ✔ | 20 | 176 | 2 | 0.423 | 0.438 | 0.000 | (0;000) | ✗ | 02/02/17 |
VS4 | ICSD | 16797 | C2/c (15) | ✔ | 20 | 148 | 2 | 0.6894 | 0.769 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdTeMoO6 | ICSD | 188038 | P-42_1m (113) | ✗ | 18 | 136 | 2 | 3.1805 | 3.284 | 0.000 | (0;000) | ✗ | 22/03/17 |
SbTe | ICSD | 20459 | P-3m1 (164) | ✔ | 12 | 66 | 2 | 0.0 | 0.110 | 0.056 | (1;001) | ✗ | 02/02/17 |
SrZrSe3 | ICSD | 84723 | Pnma (62) | ✔ | 20 | 128 | 2 | 0.1594 | 0.178 | 0.000 | (0;000) | ✗ | 02/02/17 |
PdSeO3 | ICSD | 415955 | C2/m (12) | ✔ | 10 | 84 | 2 | 0.6437 | 0.644 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2PdO3 | COD | 1531926 | Immm (71) | ✔ | 6 | 56 | 2 | 0.1836 | 0.627 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2Si2Pb2O | ICSD | 77382 | P6/mmm (191) | ✔ | 7 | 60 | 2 | 0.0 | 0.006 | 0.472 | (0;000) | ✗ | 02/02/17 |
SbPO4 | ICSD | 62977 | P2_1/m (11) | ✔ | 12 | 68 | 2 | 0.0 | 4.450 | 1.000 | (0;000) | ✗ | 27/01/17 |
CoTeMoO6 | ICSD | 247052 | P2_12_12 (18) | ✗ | 18 | 146 | 2 | 0.0 | 0.000 | 0.777 | ? | ✗ | 22/03/17 |
Sr2RuO4 | COD | 1526905 | I4/mmm (139) | ✔ | 7 | 60 | 2 | 0.0 | 0.080 | 0.926 | (0;000) | ✗ | 27/01/17 |
Sr2TiO4 | COD | 1517788 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 2.2547 | 2.423 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlF3 | COD | 1010414 | P321 (150) | ✗ | 12 | 72 | 2 | 0.6871 | 0.806 | 0.000 | (0;000) | ✗ | 15/02/17 |
Cs2Mn3Te4 | COD | 2006421 | Ibam (72) | ✔ | 18 | 174 | 2 | 0.0 | 0.000 | 0.635 | (0;001) | ✗ | 22/03/17 |
KAl(SO4)2 | COD | 1011235 | P321 (150) | ✗ | 12 | 72 | 2 | 1.6616 | 1.732 | 0.000 | (0;000) | ✗ | 15/02/17 |
VPO5 | ICSD | 425552 | C2/m (12) | ✔ | 14 | 96 | 2 | 1.1715 | 1.369 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbBrF4 | ICSD | 65713 | I4/mcm (140) | ✔ | 12 | 88 | 2 | 3.8888 | 3.889 | 0.000 | (0;000) | ✗ | 02/02/17 |
KSb4F13 | ICSD | 4049 | I-4 (82) | ✗ | 18 | 120 | 2 | 4.6916 | 4.904 | 0.000 | (0;000) | ✗ | 22/03/17 |
Sr(RuO3)2 | ICSD | 248351 | P-31m (162) | ✔ | 9 | 78 | 2 | 0.0589 | 0.098 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2Li2GeO4 | ICSD | 36532 | P-1 (2) | ✔ | 18 | 104 | 2 | 3.9221 | 4.022 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbTa(PO4)2 | ICSD | 54098 | C2/m (12) | ✔ | 12 | 80 | 2 | 3.5625 | 3.682 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ga2Fe2S5 | ICSD | 32551 | R-3m (166) | ✔ | 9 | 72 | 2 | 0.1302 | 0.260 | 0.000 | (0;000) | ✗ | 22/03/17 |
Na(GeP)3 | COD | 7017702 | Pmc2_1 (26) | ✗ | 14 | 72 | 2 | 1.1803 | 1.490 | 0.000 | (0;000) | ✗ | 22/03/17 |
RbCdAuS2 | ICSD | 85582 | Pcca (54) | ✔ | 20 | 176 | 2 | 1.9477 | 2.222 | 0.000 | (0;000) | ✗ | 21/03/17 |
InTeCl | ICSD | 21031 | P2_1/c (14) | ✔ | 24 | 208 | 2 | 1.6881 | 1.688 | 0.000 | (0;000) | ✗ | 04/08/17 |
BN | COD | 1010602 | P-6m2 (187) | ✗ | 4 | 16 | 2 | 4.3937 | 4.522 | 0.000 | (0;000) | ✗ | 15/02/17 |
TaF5 | COD | 1528377 | C2/m (12) | ✔ | 24 | 192 | 2 | 5.8166 | 5.835 | 0.000 | (0;000) | ✗ | 04/08/17 |
HgH4C2(N2Cl)2 | ICSD | 405834 | P1 (1) | ✗ | 13 | 58 | 2 | 2.994 | 3.054 | 0.000 | (0;000) | ✗ | 15/02/17 |
PbO | COD | 2310433 | Pbcm (57) | ✔ | 8 | 80 | 2 | 1.8544 | 2.040 | 0.000 | (0;000) | ✗ | 27/01/17 |
KVP2S7 | ICSD | 91756 | C2 (5) | ✗ | 11 | 74 | 2 | 0.0 | 0.009 | 0.724 | ? | ✗ | 29/03/17 |
PdO | COD | 1011329 | P4/mmm (123) | ✔ | 2 | 24 | 2 | 0.0 | 0.009 | 0.422 | (0;110) | ✗ | 27/01/17 |
NaCaSiHO4 | ICSD | 97911 | P2_1 (4) | ✗ | 16 | 96 | 2 | 4.5756 | 4.578 | 0.000 | (0;000) | ✗ | 15/02/17 |
Li2B2C | COD | 2019750 | P-4m2 (115) | ✗ | 10 | 32 | 2 | 0.0 | 0.000 | 0.456 | ? | ✗ | 15/02/17 |
CdClO | COD | 9016472 | P6_3mc (186) | ✗ | 6 | 50 | 2 | 0.0 | 0.000 | 0.749 | ? | ✗ | 15/02/17 |
Pb4IF7 | ICSD | 36337 | Cmcm (63) | ✔ | 24 | 224 | 2 | 2.5134 | 2.683 | 0.000 | (0;000) | ✗ | 04/08/17 |
ZrSiO | ICSD | 25731 | P4/nmm (129) | ✔ | 6 | 28 | 2 | 0.0 | 0.041 | 0.027 | (0;001) | ✗ | 27/01/17 |
SnO | COD | 7206470 | P4/nmm (129) | ✔ | 4 | 40 | 2 | 0.1699 | 1.998 | 0.000 | (0;000) | ✗ | 27/01/17 |
InTeBr | COD | 1524712 | P2_1/c (14) | ✔ | 12 | 104 | 2 | 1.6209 | 1.621 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr(PPd)2 | ICSD | 36373 | I4/mmm (139) | ✔ | 5 | 56 | 2 | 0.0 | 0.055 | 0.807 | (1;000) | ✗ | 27/01/17 |
CsZn4As3 | ICSD | 262030 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.0 | 0.040 | 0.073 | (0;001) | ✗ | 07/04/17 |
Sr(PRu)2 | ICSD | 648030 | I4/mmm (139) | ✔ | 5 | 52 | 2 | 0.0 | 0.001 | 0.650 | (1;000) | ✗ | 27/01/17 |