▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
KRb2ScF6 | ICSD | 81679 | P2_1/c (14) | ✔ | 20 | 160 | 2 | 6.7988 | 6.811 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2TiSiO5 | COD | 9011189 | P4/nmm (129) | ✔ | 18 | 128 | 2 | 3.217 | 3.424 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbNiTe5 | ICSD | 73316 | Cmcm (63) | ✔ | 14 | 106 | 2 | 0.0 | 0.000 | 0.922 | (0;110) | ✗ | 02/02/17 |
NaNiIO6 | ICSD | 23543 | P312 (149) | ✗ | 9 | 62 | 2 | 1.4416 | 1.533 | 0.000 | (0;000) | ✗ | 15/02/17 |
Ta2NiS5 | ICSD | 61147 | Cmcm (63) | ✔ | 16 | 132 | 2 | 0.0 | 0.006 | 0.090 | (0;000) | ✗ | 02/02/17 |
VO2 | COD | 1527408 | P-1 (2) | ✔ | 12 | 100 | 2 | 0.0 | 0.011 | 0.534 | (1;001) | ✗ | 02/02/17 |
NaCrF4 | ICSD | 37108 | P2_1/c (14) | ✔ | 24 | 204 | 2 | 0.0 | 0.004 | 0.262 | (1;111) | ✗ | 04/08/17 |
Sr(NiP)2 | ICSD | 85406 | Immm (71) | ✔ | 15 | 120 | 2 | 0.0 | 0.007 | 0.951 | (1;111) | ✗ | 02/02/17 |
PdS2 | COD | 2310589 | Pbca (61) | ✔ | 12 | 120 | 2 | 0.0 | 0.960 | 0.076 | (0;000) | ✗ | 02/02/17 |
Ta2PtSe7 | ICSD | 61353 | C2/m (12) | ✔ | 20 | 156 | 2 | 0.0 | 0.012 | 0.258 | (1;000) | ✗ | 02/02/17 |
RbYTe2 | ICSD | 419996 | P6_3/mmc (194) | ✔ | 8 | 64 | 2 | 0.923 | 1.605 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsVF4 | ICSD | 167354 | Pmmn (59) | ✔ | 24 | 200 | 2 | 0.0 | 0.002 | 0.402 | (0;000) | ✗ | 04/08/17 |
Ni2SbTe2 | COD | 1533053 | P6_3/mmc (194) | ✔ | 10 | 74 | 2 | 0.0 | 0.000 | 0.889 | (0;000) | ✗ | 02/02/17 |
BaAl2B2O7 | ICSD | 409171 | R32 (155) | ✗ | 12 | 64 | 2 | 4.8336 | 4.843 | 0.000 | (0;000) | ✗ | 15/02/17 |
TaNi2TeSe | ICSD | 86174 | Pnma (62) | ✔ | 20 | 180 | 2 | 0.0 | 0.001 | 0.907 | (0;011) | ✗ | 02/02/17 |
Li2MnSiO4 | ICSD | 161305 | Pmn2_1 (31) | ✗ | 16 | 98 | 2 | 0.0 | 0.000 | 0.795 | ? | ✗ | 15/02/17 |
TlSn2Br5 | ICSD | 151988 | I4/mcm (140) | ✔ | 16 | 152 | 2 | 2.2195 | 2.420 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr4Zn3F14 | COD | 4030525 | Cm (8) | ✗ | 21 | 174 | 2 | 4.8861 | 4.909 | 0.000 | (0;000) | ✗ | 04/08/17 |
SbTe2F6 | COD | 4031419 | P-1 (2) | ✔ | 18 | 118 | 2 | 1.0596 | 1.284 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2SeBr6 | COD | 1010627 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.6082 | 1.983 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiAl | ICSD | 262064 | Cmce (64) | ✔ | 24 | 72 | 2 | 0.0 | 0.004 | 0.581 | (0;000) | ✗ | 04/08/17 |
Rb2PdBr6 | COD | 1010637 | Fm-3m (225) | ✔ | 9 | 78 | 2 | 0.0222 | 0.153 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ga2Fe2S5 | ICSD | 49912 | P6_3/mmc (194) | ✔ | 18 | 144 | 2 | 0.0 | 0.040 | 0.189 | (0;000) | ✗ | 02/02/17 |
NaTiF4 | ICSD | 389 | Pbcn (60) | ✔ | 24 | 196 | 2 | 0.0 | 0.000 | 0.734 | (0;000) | ✗ | 04/08/17 |
Nb2Tl5S4Br9 | ICSD | 418796 | Immm (71) | ✔ | 20 | 178 | 2 | 1.627 | 1.638 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgTeMoO6 | ICSD | 184714 | P2_12_12 (18) | ✗ | 18 | 132 | 2 | 3.1056 | 3.166 | 0.000 | (0;000) | ✗ | 29/03/17 |
Li7TaO6 | ICSD | 74950 | R3 (146) | ✗ | 14 | 70 | 2 | 4.6455 | 4.809 | 0.000 | (0;000) | ✗ | 15/02/17 |
CuTe2Br | ICSD | 67252 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.3199 | 0.337 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cu(ClO)2 | COD | 9014996 | Pmna (53) | ✔ | 10 | 74 | 2 | 0.0 | 0.000 | 0.938 | (0;000) | ✗ | 02/02/17 |
HgBrO3 | ICSD | 31925 | C2/c (15) | ✔ | 20 | 148 | 2 | 3.4599 | 3.523 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgCl2 | COD | 1010620 | Pnma (62) | ✔ | 12 | 104 | 2 | 3.4224 | 3.429 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaMnBi2 | ICSD | 615787 | I4/mmm (139) | ✔ | 8 | 110 | 2 | 0.0 | 0.001 | 0.777 | (1;000) | ✗ | 21/03/17 |
FeS2O9 | COD | 9013790 | P-1 (2) | ✔ | 12 | 74 | 2 | 0.0 | 0.041 | 0.500 | (1;000) | ✗ | 04/08/17 |
MgGaH4 | ICSD | 240696 | P2_1/c (14) | ✔ | 24 | 108 | 2 | 0.0 | 0.015 | 0.330 | (0;010) | ✗ | 04/08/17 |
Mg3Si2O9 | COD | 9004509 | P31m (157) | ✗ | 14 | 92 | 2 | 0.0 | 0.000 | 0.785 | ? | ✗ | 15/02/17 |
Cs3As2Cl9 | ICSD | 45733 | P321 (150) | ✗ | 14 | 100 | 2 | 2.4958 | 2.496 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsNiC2N2Cl | ICSD | 380469 | I4/mmm (139) | ✔ | 14 | 88 | 2 | 0.0 | 0.009 | 0.271 | (0;000) | ✗ | 02/02/17 |
TaNiTe2 | ICSD | 71063 | Pmna (53) | ✔ | 16 | 140 | 2 | 0.0 | 0.033 | 0.232 | (1;010) | ✗ | 02/02/17 |
TaNiTe5 | ICSD | 73314 | Cmcm (63) | ✔ | 14 | 106 | 2 | 0.0 | 0.000 | 0.918 | (0;110) | ✗ | 02/02/17 |
SeO2 | ICSD | 99464 | Pmc2_1 (26) | ✗ | 12 | 72 | 2 | 3.521 | 3.788 | 0.000 | (0;000) | ✗ | 15/02/17 |
HgC2(NO)2 | ICSD | 245329 | Cmce (64) | ✔ | 14 | 84 | 2 | 3.7029 | 3.807 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs3ClO | ICSD | 401664 | Pnma (62) | ✔ | 20 | 160 | 2 | 2.0723 | 2.076 | 0.000 | (0;000) | ✗ | 22/03/17 |
Nb(SCl)2 | COD | 1522781 | C2/m (12) | ✔ | 10 | 78 | 2 | 1.4336 | 1.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
C2S2O | COD | 2008373 | P2_1/c (14) | ✔ | 20 | 104 | 2 | 2.5413 | 2.574 | 0.000 | (0;000) | ✗ | 02/02/17 |
S4I2O15 | ICSD | 427675 | P1 (1) | ✗ | 21 | 128 | 2 | 2.4767 | 2.599 | 0.000 | (0;000) | ✗ | 04/08/17 |
ReI3 | ICSD | 25114 | P2_1/m (11) | ✔ | 24 | 216 | 2 | 0.7756 | 0.780 | 0.000 | (0;000) | ✗ | 04/08/17 |
Nb(SeCl)2 | COD | 1522780 | P-1 (2) | ✔ | 10 | 78 | 2 | 0.9448 | 1.031 | 0.000 | (0;000) | ✗ | 02/02/17 |
TeF4 | ICSD | 85452 | P2_12_12_1 (19) | ✗ | 20 | 136 | 2 | 4.2126 | 4.283 | 0.000 | (0;000) | ✗ | 22/03/17 |
Rb2Mn3S4 | ICSD | 643392 | Ibam (72) | ✔ | 18 | 174 | 2 | 0.0 | 0.000 | 0.908 | (0;100) | ✗ | 29/03/17 |
V2O5 | COD | 1011225 | Pmn2_1 (31) | ✗ | 14 | 112 | 2 | 1.4532 | 1.614 | 0.000 | (0;000) | ✗ | 15/02/17 |
TePIr | ICSD | 601289 | Pbca (61) | ✔ | 24 | 224 | 2 | 0.7269 | 0.998 | 0.000 | (0;000) | ✗ | 04/08/17 |
In2Te5 | ICSD | 640615 | Cc (9) | ✗ | 14 | 112 | 2 | 0.8149 | 0.931 | 0.000 | (0;000) | ✗ | 29/03/17 |
Cs2LiCo(CN)6 | ICSD | 23204 | Fm-3m (225) | ✔ | 16 | 92 | 2 | 4.0485 | 4.056 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbC8 | ICSD | 200563 | Fddd (70) | ✔ | 18 | 82 | 2 | 0.0 | 0.000 | 0.817 | (1;111) | ✗ | 02/02/17 |
CuI | COD | 9013923 | P4/nmm (129) | ✔ | 4 | 36 | 2 | 1.3057 | 1.306 | 0.000 | (0;000) | ✗ | 22/03/17 |
Ca2Zn2CuP3 | ICSD | 89517 | P6_3/mmc (194) | ✔ | 16 | 140 | 2 | 0.2555 | 0.326 | 0.000 | (0;000) | ✗ | 02/02/17 |
PdCl2 | ICSD | 404624 | R-3 (148) | ✔ | 18 | 192 | 2 | 1.2092 | 1.289 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsZn4P3 | ICSD | 262031 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.0592 | 0.059 | 0.000 | (0;000) | ✗ | 07/04/17 |
WCl3O | ICSD | 416393 | P4_2/mnm (136) | ✔ | 20 | 220 | 2 | 0.0992 | 0.099 | 0.000 | (0;000) | ✗ | 11/04/17 |
RbPbIO6 | ICSD | 73615 | P6_322 (182) | ✗ | 18 | 132 | 2 | 0.0 | 0.000 | 0.244 | (1;000) | ✔ | 11/04/17 |
WS2 | COD | 9009145 | P6_3/mmc (194) | ✔ | 6 | 80 | 2 | 0.9842 | 1.553 | 0.000 | (0;000) | ✗ | 11/04/17 |
Ca2NiWO6 | ICSD | 155734 | P2_1/c (14) | ✔ | 20 | 160 | 2 | 0.0 | 0.135 | 0.107 | (0;000) | ✗ | 02/02/17 |
Ba3In2Cl2O5 | COD | 2002522 | I4/mmm (139) | ✔ | 12 | 100 | 2 | 1.6797 | 2.375 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca3(GaN2)2 | COD | 4323350 | C2/c (15) | ✔ | 18 | 152 | 2 | 1.9889 | 1.989 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnO | COD | 1101035 | Cmc2_1 (36) | ✗ | 8 | 80 | 2 | 0.0 | 0.009 | 0.349 | (1;011) | ✔ | 15/02/17 |
Li2RuO3 | ICSD | 202611 | C2/m (12) | ✔ | 12 | 80 | 2 | 0.0 | 0.087 | 0.084 | (0;001) | ✗ | 04/08/17 |
Ca3Pd2 | ICSD | 619502 | R-3 (148) | ✔ | 15 | 198 | 2 | 0.0 | 0.025 | 0.742 | (0;000) | ✗ | 02/02/17 |
NbF5 | ICSD | 26647 | C2/m (12) | ✔ | 24 | 192 | 2 | 5.6485 | 5.679 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ca5Hg3 | COD | 1527308 | I4/mcm (140) | ✔ | 16 | 172 | 2 | 0.0 | 0.019 | 0.388 | (0;111) | ✗ | 21/03/17 |
Ca5Pd2 | ICSD | 619503 | C2/c (15) | ✔ | 14 | 172 | 2 | 0.0 | 0.016 | 0.327 | (0;000) | ✗ | 02/02/17 |
MnTeMoO6 | ICSD | 163980 | P2_12_12 (18) | ✗ | 18 | 142 | 2 | 0.0 | 0.000 | 0.671 | ? | ✗ | 29/03/17 |
H3C2O | COD | 2216740 | P-1 (2) | ✔ | 24 | 68 | 2 | 3.2998 | 3.326 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiSbS2 | ICSD | 40457 | R-3 (148) | ✔ | 24 | 120 | 2 | 1.167 | 1.543 | 0.000 | (0;000) | ✗ | 04/08/17 |
Fe(CO)5 | COD | 2310564 | C2/c (15) | ✔ | 22 | 116 | 2 | 3.6826 | 3.720 | 0.000 | (0;000) | ✗ | 04/08/17 |
ZnTeMoO6 | ICSD | 250523 | P2_12_12 (18) | ✗ | 18 | 136 | 2 | 3.0362 | 3.097 | 0.000 | (0;000) | ✗ | 29/03/17 |
LiCaGaF6 | ICSD | 152300 | P-31c (163) | ✔ | 18 | 136 | 2 | 5.5593 | 5.621 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Ti(AgS2)2 | COD | 4319682 | P4_2/mcm (132) | ✔ | 18 | 152 | 2 | 1.5463 | 1.851 | 0.000 | (0;000) | ✗ | 16/03/17 |
TiCl3 | ICSD | 26070 | P3_112 (151) | ✗ | 24 | 198 | 2 | 0.0 | 0.000 | 0.883 | ? | ✗ | 04/08/17 |
TcO3F | COD | 4339756 | P2_1/c (14) | ✔ | 20 | 160 | 2 | 5.8584 | 0.037 | 1.000 | (0;000) | ✗ | 02/02/17 |
CuClF10 | ICSD | 35387 | P2_1/c (14) | ✔ | 24 | 176 | 2 | 0.0 | 0.001 | 0.267 | (1;001) | ✗ | 04/08/17 |
AgCS(OF)3 | ICSD | 183643 | R-3 (148) | ✔ | 18 | 120 | 2 | 2.8132 | 3.334 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrRuO3 | ICSD | 82977 | Pnma (62) | ✔ | 20 | 176 | 2 | 0.0 | 0.020 | 0.552 | (0;000) | ✗ | 02/02/17 |
Cs2Zr(AgTe2)2 | ICSD | 80195 | C222 (21) | ✗ | 9 | 68 | 2 | 1.2649 | 1.606 | 0.000 | (0;000) | ✗ | 16/03/17 |
NaFeF4 | COD | 1527271 | P2_1/c (14) | ✔ | 24 | 180 | 2 | 0.0 | 0.003 | 0.391 | (0;000) | ✗ | 04/08/17 |
CaV2O5 | ICSD | 82689 | Pmmn (59) | ✔ | 16 | 132 | 2 | 0.0 | 0.028 | 0.223 | (0;000) | ✗ | 02/02/17 |
Li2TiGeO5 | ICSD | 250297 | P4/nmm (129) | ✔ | 18 | 104 | 2 | 3.6252 | 3.899 | 0.000 | (0;000) | ✗ | 04/08/17 |
HgPO4 | COD | 9008252 | P2_1/c (14) | ✔ | 24 | 164 | 2 | 0.0 | 0.006 | 0.481 | (1;000) | ✗ | 04/08/17 |
NbTe4Ir | ICSD | 656451 | Pmn2_1 (31) | ✗ | 24 | 216 | 2 | 0.0 | 0.002 | 0.162 | ? | ✗ | 04/08/17 |
K2SnO3 | ICSD | 24131 | Pnma (62) | ✔ | 24 | 200 | 2 | 1.6375 | 1.638 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li2TiSiO5 | ICSD | 87596 | P4/nmm (129) | ✔ | 18 | 104 | 2 | 3.363 | 3.614 | 0.000 | (0;000) | ✗ | 04/08/17 |
Mg5Ga2 | COD | 1522852 | Ibam (72) | ✔ | 14 | 152 | 2 | 0.0 | 0.003 | 0.465 | (1;111) | ✗ | 02/02/17 |
NbNiTe2 | ICSD | 71841 | Pma2 (28) | ✗ | 16 | 140 | 2 | 0.0 | 0.003 | 0.197 | ? | ✗ | 04/08/17 |
NbTe4Os | ICSD | 656450 | Pmn2_1 (31) | ✗ | 24 | 212 | 2 | 0.0 | 0.000 | 0.826 | ? | ✗ | 04/08/17 |
PbSO4 | ICSD | 100625 | Pnma (62) | ✔ | 24 | 176 | 2 | 0.0 | 0.004 | 0.527 | (0;000) | ✗ | 04/08/17 |
BaMnCO3F2 | COD | 1100121 | P6_3/m (176) | ✔ | 16 | 122 | 2 | 0.0 | 0.000 | 0.877 | (0;000) | ✗ | 02/02/17 |
V2Se9 | ICSD | 48145 | C2/c (15) | ✔ | 22 | 160 | 2 | 0.4041 | 0.452 | 0.000 | (0;000) | ✗ | 04/08/17 |
Au2Se2O7 | COD | 7209412 | Pba2 (32) | ✗ | 22 | 152 | 2 | 1.0081 | 1.035 | 0.000 | (0;000) | ✗ | 07/08/17 |
Sr3(GaP2)2 | ICSD | 423782 | C2/c (15) | ✔ | 18 | 152 | 2 | 1.0762 | 1.174 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3Zr2S7 | COD | 2009500 | I4/mmm (139) | ✔ | 12 | 80 | 2 | 0.4227 | 0.556 | 0.000 | (0;000) | ✗ | 02/02/17 |
TeO2 | COD | 1011183 | Pbca (61) | ✔ | 24 | 144 | 2 | 0.1166 | 0.231 | 0.000 | (0;000) | ✗ | 04/08/17 |