▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
AsPbF7 | ICSD | 411788 | P-1 (2) | ✔ | 18 | 136 | 2 | 4.6514 | 4.679 | 0.000 | (0;000) | ✗ | 30/01/17 |
Tl2TeI6 | ICSD | 99128 | P2_1/c (14) | ✔ | 18 | 148 | 3 | 1.2944 | 1.353 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y6GaCo2 | ICSD | 601010 | Immm (71) | ✔ | 18 | 226 | 3 | 0.0 | 0.003 | 0.386 | (0;111) | ✗ | 22/03/17 |
Rb2TeI6 | ICSD | 36009 | P4/mnc (128) | ✔ | 18 | 132 | 1 | 1.152 | 1.419 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y5Ge3C | ICSD | 617982 | P6_3/mcm (193) | ✔ | 18 | 142 | 3 | 0.0 | 0.000 | 0.603 | (0;000) | ✗ | 02/02/17 |
Cu2H3ClO3 | COD | 9007603 | R-3m (166) | ✔ | 18 | 100 | 3 | 0.0 | 0.000 | 0.621 | (1;000) | ✗ | 27/01/17 |
Cs2Co3S4 | ICSD | 65256 | Ibam (72) | ✔ | 18 | 186 | 2 | 0.0 | 0.000 | 0.931 | (1;110) | ✗ | 22/03/17 |
Cu2H3ClO3 | COD | 9009464 | P2_1/m (11) | ✔ | 18 | 100 | 2 | 0.0 | 0.024 | 0.386 | (0;001) | ✗ | 27/01/17 |
BPO4 | COD | 8103470 | P3_121 (152) | ✗ | 18 | 96 | 3 | 7.469 | 7.603 | 0.000 | (0;000) | ✗ | 15/02/17 |
CoTeMoO6 | ICSD | 247052 | P2_12_12 (18) | ✗ | 18 | 146 | 2 | 0.0 | 0.000 | 0.777 | ? | ✗ | 22/03/17 |
Zr5Sb3As | ICSD | 611352 | P6_3/mcm (193) | ✔ | 18 | 80 | 3 | 0.0 | 0.005 | 0.819 | (0;000) | ✗ | 30/01/17 |
H4C3O2 | COD | 2003673 | P1 (1) | ✗ | 18 | 56 | 1 | 3.6547 | 3.754 | 0.000 | (0;000) | ✗ | 15/02/17 |
Sr3(InP2)2 | ICSD | 61335 | Pnnm (58) | ✔ | 18 | 152 | 1 | 0.6327 | 0.633 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfCoSn | ICSD | 107472 | P-62c (190) | ✗ | 18 | 258 | 3 | 0.0 | 0.000 | 0.514 | ? | ✗ | 22/03/17 |
Na4CoO4 | ICSD | 4196 | P1 (1) | ✗ | 18 | 154 | 1 | 0.0 | 0.009 | 0.511 | ? | ✗ | 22/03/17 |
P2S7 | ICSD | 423062 | P-1 (2) | ✔ | 18 | 104 | 1 | 1.8252 | 1.896 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cr2P | COD | 1008867 | Imm2 (44) | ✗ | 18 | 198 | 3 | 28.0232 | 0.005 | 1.000 | (0;000) | ✗ | 22/03/17 |
CuH2SO5 | ICSD | 68184 | P-1 (2) | ✔ | 18 | 98 | 3 | 0.0 | 0.020 | 0.095 | (0;011) | ✗ | 27/01/17 |
CuH2SeO5 | ICSD | 39887 | P-1 (2) | ✔ | 18 | 98 | 3 | 0.0 | 0.008 | 0.094 | (1;100) | ✗ | 27/01/17 |
TlCr3Se5 | ICSD | 626737 | C2/m (12) | ✔ | 18 | 170 | 3 | 0.0 | 0.004 | 0.498 | (1;001) | ✗ | 22/03/17 |
RbCr3S5 | ICSD | 73143 | C2/m (12) | ✔ | 18 | 162 | 3 | 0.0 | 0.001 | 0.672 | (1;000) | ✗ | 22/03/17 |
KCr3S5 | ICSD | 604340 | C2/m (12) | ✔ | 18 | 162 | 3 | 0.0 | 0.002 | 0.704 | (1;110) | ✗ | 22/03/17 |
TlCr3S5 | ICSD | 626645 | C2/m (12) | ✔ | 18 | 170 | 3 | 0.0 | 0.003 | 0.729 | (0;000) | ✗ | 22/03/17 |
Zr5SbPb3 | ICSD | 604080 | P6_3/mcm (193) | ✔ | 18 | 134 | 3 | 0.0 | 0.000 | 0.567 | (0;000) | ✗ | 02/02/17 |
Li2CrF6 | COD | 1525286 | P2_1/c (14) | ✔ | 18 | 124 | 1 | 0.0 | 0.018 | 0.019 | (0;000) | ✗ | 22/03/17 |
Zr5Sn3As | ICSD | 656301 | P6_3/mcm (193) | ✔ | 18 | 134 | 3 | 0.0 | 0.000 | 0.638 | (0;000) | ✗ | 30/01/17 |
LiH5C5N2O5 | COD | 2200233 | P1 (1) | ✗ | 18 | 68 | 1 | 2.9567 | 3.022 | 0.000 | (0;000) | ✗ | 15/02/17 |
BeH2 | ICSD | 161367 | Ibam (72) | ✔ | 18 | 36 | 1 | 5.4829 | 5.483 | 0.000 | (0;000) | ✗ | 05/01/17 |
H4C9OF4 | COD | 7204880 | P1 (1) | ✗ | 18 | 74 | 1 | 3.4283 | 3.555 | 0.000 | (0;000) | ✗ | 15/02/17 |
Rb2Mn3S4 | ICSD | 643392 | Ibam (72) | ✔ | 18 | 174 | 2 | 0.0 | 0.000 | 0.908 | (0;100) | ✗ | 29/03/17 |
Cl2O7 | ICSD | 63680 | C2/c (15) | ✔ | 18 | 112 | 1 | 4.2757 | 4.354 | 0.000 | (0;000) | ✗ | 02/02/17 |
BH3NF4 | ICSD | 49614 | P-1 (2) | ✔ | 18 | 78 | 1 | 7.5408 | 7.573 | 0.000 | (0;000) | ✗ | 05/01/17 |
BH3OF4 | ICSD | 15591 | P-1 (2) | ✔ | 18 | 80 | 1 | 6.1272 | 6.158 | 0.000 | (0;000) | ✗ | 05/01/17 |
Mg(SbO3)2 | COD | 9015308 | P4_2/mnm (136) | ✔ | 18 | 112 | 3 | 1.632 | 1.632 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe3BO5 | COD | 1511157 | P2/m (10) | ✔ | 18 | 114 | 3 | 0.0 | 0.005 | 0.752 | (1;100) | ✗ | 05/01/17 |
CoH2SeO5 | ICSD | 66747 | C2/c (15) | ✔ | 18 | 110 | 3 | 0.0 | 0.001 | 0.443 | (1;010) | ✗ | 27/01/17 |
Cs2Mn3Te4 | COD | 2006421 | Ibam (72) | ✔ | 18 | 174 | 2 | 0.0 | 0.000 | 0.635 | (0;001) | ✗ | 22/03/17 |
Cs2Hg3S4 | COD | 4002165 | Ibam (72) | ✔ | 18 | 156 | 2 | 1.8841 | 1.884 | 0.000 | (0;000) | ✗ | 22/03/17 |
CuH4(ClO)2 | COD | 1008760 | Pmna (53) | ✔ | 18 | 82 | 1 | 0.0 | 0.000 | 0.821 | (0;000) | ✗ | 02/02/17 |
Zr5InPb3 | ICSD | 604229 | P6_3/mcm (193) | ✔ | 18 | 150 | 3 | 0.0 | 0.000 | 0.760 | (1;000) | ✗ | 02/02/17 |
Cs2Mn3Se4 | ICSD | 78932 | Ibam (72) | ✔ | 18 | 174 | 2 | 0.0 | 0.000 | 0.651 | (0;111) | ✗ | 22/03/17 |
Cs2Mn3S4 | ICSD | 65255 | Ibam (72) | ✔ | 18 | 174 | 2 | 0.0 | 0.000 | 0.747 | (1;100) | ✗ | 22/03/17 |
Zr5Pb3S | ICSD | 604197 | P6_3/mcm (193) | ✔ | 18 | 136 | 3 | 0.0 | 0.000 | 0.224 | (0;000) | ✗ | 02/02/17 |
V2WO6 | COD | 1008912 | P4_2/mnm (136) | ✔ | 18 | 152 | 3 | 0.0 | 0.001 | 0.542 | (0;110) | ✗ | 27/01/17 |
Cu(SbO3)2 | ICSD | 84789 | P4_2/mnm (136) | ✔ | 18 | 114 | 3 | 0.0 | 0.000 | 0.877 | (0;000) | ✗ | 27/01/17 |
Ta2VO6 | COD | 1001151 | P4_2/mnm (136) | ✔ | 18 | 150 | 3 | 0.0 | 0.000 | 0.871 | (0;000) | ✗ | 27/01/17 |
K2Sn(AuS2)2 | ICSD | 74022 | P-1 (2) | ✔ | 18 | 156 | 1 | 1.7411 | 1.955 | 0.000 | (0;000) | ✗ | 30/01/17 |
CdI2 | ICSD | 42255 | P3m1 (156) | ✗ | 18 | 156 | 1 | 1.9404 | 2.159 | 0.000 | (0;000) | ✗ | 22/03/17 |
PtCl2 | ICSD | 28527 | R-3m (166) | ✔ | 18 | 144 | 2 | 0.6796 | 0.680 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pd(Se3Cl)2 | ICSD | 405207 | P2_1/c (14) | ✔ | 18 | 136 | 1 | 1.0887 | 1.107 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Zn3S4 | ICSD | 627093 | Ibam (72) | ✔ | 18 | 156 | 2 | 2.9058 | 2.906 | 0.000 | (0;000) | ✗ | 22/03/17 |
PdCl2 | ICSD | 404624 | R-3 (148) | ✔ | 18 | 192 | 2 | 1.2092 | 1.289 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zr5SnPb3 | ICSD | 604193 | P6_3/mcm (193) | ✔ | 18 | 152 | 3 | 0.0 | 0.002 | 0.652 | (0;000) | ✗ | 02/02/17 |
ZrCl2 | ICSD | 41539 | R-3 (148) | ✔ | 18 | 108 | 3 | 0.0195 | 0.033 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3(NiO2)2 | COD | 1528246 | Cmcm (63) | ✔ | 18 | 142 | 3 | 0.0 | 0.000 | 0.748 | (0;000) | ✗ | 02/02/17 |
K3LiIrO4 | ICSD | 75045 | C2/c (15) | ✔ | 18 | 142 | 1 | 0.0 | 0.000 | 0.332 | (1;100) | ✗ | 02/02/17 |
AuClO | COD | 2105387 | R-3 (148) | ✔ | 18 | 144 | 3 | 1.1439 | 1.248 | 0.000 | (0;000) | ✗ | 30/01/17 |
Si5Ir4 | ICSD | 640987 | P2_1/m (11) | ✔ | 18 | 176 | 3 | 0.0 | 0.025 | 0.811 | (1;011) | ✗ | 02/02/17 |
CsSb4F13 | COD | 5910189 | I4/m (87) | ✔ | 18 | 120 | 3 | 2.4393 | 2.443 | 0.000 | (0;000) | ✗ | 22/03/17 |
TeAuCl7 | COD | 7209382 | P-1 (2) | ✔ | 18 | 132 | 1 | 1.6215 | 1.787 | 0.000 | (0;000) | ✗ | 30/01/17 |
Re2BiO6 | ICSD | 181425 | C2/c (15) | ✔ | 18 | 162 | 3 | 0.0 | 0.000 | 0.476 | (1;100) | ✗ | 02/02/17 |
K2Mn3S4 | ICSD | 411172 | P2/c (13) | ✔ | 18 | 174 | 2 | 0.0 | 0.000 | 0.660 | (0;100) | ✗ | 02/02/17 |
K2Ni3S4 | COD | 1005023 | Fddd (70) | ✔ | 18 | 144 | 1 | 0.7316 | 0.855 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Ni3Se4 | ICSD | 641277 | Fddd (70) | ✔ | 18 | 144 | 1 | 0.3535 | 0.461 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Zn3O4 | ICSD | 62146 | C2/c (15) | ✔ | 18 | 156 | 3 | 1.4801 | 1.480 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbBa4Sb3O | ICSD | 415036 | I4/mcm (140) | ✔ | 18 | 140 | 1 | 0.8848 | 0.993 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2S2O5 | COD | 2310629 | P2_1/m (11) | ✔ | 18 | 120 | 1 | 3.6861 | 3.745 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Sn2S5 | ICSD | 72378 | C2/c (15) | ✔ | 18 | 152 | 3 | 1.6448 | 1.893 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Sn2Se5 | ICSD | 72379 | C2/c (15) | ✔ | 18 | 152 | 3 | 1.1071 | 1.260 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li5Cl3O | ICSD | 419852 | I4/mcm (140) | ✔ | 18 | 84 | 1 | 3.9676 | 4.045 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ga2TeO6 | ICSD | 78346 | P4_2/mnm (136) | ✔ | 18 | 136 | 3 | 1.3627 | 1.363 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb5Si3B | ICSD | 614916 | P6_3/mcm (193) | ✔ | 18 | 160 | 3 | 0.0 | 0.007 | 0.610 | (1;000) | ✗ | 02/02/17 |
K3(PdO2)2 | ICSD | 245610 | Cmcm (63) | ✔ | 18 | 174 | 3 | 0.0 | 0.000 | 0.518 | (0;000) | ✗ | 02/02/17 |
NbBRu | COD | 4002175 | Pmma (51) | ✔ | 18 | 192 | 3 | 0.0 | 0.003 | 0.685 | (0;110) | ✗ | 02/02/17 |
Zr5TePb3 | ICSD | 604081 | P6_3/mcm (193) | ✔ | 18 | 136 | 3 | 0.0 | 0.005 | 0.260 | (1;000) | ✗ | 02/02/17 |
K3(PtO2)2 | COD | 1528247 | Cmcm (63) | ✔ | 18 | 142 | 3 | 0.0 | 0.000 | 0.390 | (0;000) | ✗ | 02/02/17 |
KLi3PbO4 | ICSD | 37084 | P-1 (2) | ✔ | 18 | 112 | 2 | 1.829 | 1.830 | 0.000 | (0;000) | ✗ | 02/02/17 |
CoH2SO5 | COD | 9009371 | C2/c (15) | ✔ | 18 | 110 | 3 | 0.0 | 0.001 | 0.531 | (1;100) | ✗ | 27/01/17 |
Cu(SbO3)2 | COD | 9012740 | P2_1/c (14) | ✔ | 18 | 114 | 3 | 0.0 | 0.000 | 0.944 | (0;010) | ✗ | 27/01/17 |
H5CNO2 | ICSD | 151222 | Pc (7) | ✗ | 18 | 52 | 1 | 5.1261 | 5.200 | 0.000 | (0;000) | ✗ | 15/02/17 |
K4SnO4 | COD | 2106386 | P-1 (2) | ✔ | 18 | 148 | 1 | 2.5879 | 2.661 | 0.000 | (0;000) | ✗ | 02/02/17 |
K4PbO4 | ICSD | 37268 | P-1 (2) | ✔ | 18 | 148 | 1 | 1.908 | 1.929 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaH4(BrO)2 | ICSD | 33949 | C2/c (15) | ✔ | 18 | 80 | 1 | 4.3322 | 4.332 | 0.000 | (0;000) | ✗ | 02/02/17 |
K(OsO3)2 | COD | 1529026 | Fd-3m (227) | ✔ | 18 | 154 | 3 | 0.0 | 0.000 | 0.427 | (0;000) | ✗ | 02/02/17 |
K(OsO3)2 | ICSD | 419880 | P-1 (2) | ✔ | 18 | 154 | 3 | 0.0 | 0.089 | 0.241 | (1;110) | ✗ | 02/02/17 |
Ba(BrO3)2 | ICSD | 66035 | C2/c (15) | ✔ | 18 | 120 | 1 | 4.4622 | 4.477 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuN2(Cl2O)2 | COD | 9008016 | P4_2/mnm (136) | ✔ | 18 | 122 | 1 | 0.0 | 0.000 | 0.859 | (0;110) | ✗ | 02/02/17 |
Cu(IO3)2 | ICSD | 4327 | P2_1 (4) | ✗ | 18 | 122 | 3 | 0.0 | 0.001 | 0.526 | ? | ✗ | 22/03/17 |
NaLiCO3 | COD | 1010872 | P-6m2 (187) | ✗ | 18 | 102 | 3 | 0.0 | 0.001 | 0.657 | ? | ✗ | 15/02/17 |
Cs3MnCl5 | ICSD | 24 | I4/mcm (140) | ✔ | 18 | 154 | 1 | 0.0 | 0.000 | 0.337 | (1;111) | ✗ | 02/02/17 |
Mo(RhO3)2 | COD | 1008254 | P4_2/mnm (136) | ✔ | 18 | 168 | 3 | 0.0 | 0.006 | 0.445 | (1;000) | ✗ | 27/01/17 |
Rb2Li2SiO4 | ICSD | 61086 | P-1 (2) | ✔ | 18 | 104 | 2 | 4.1321 | 4.216 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl3CoCl5 | COD | 1523977 | I4/mcm (140) | ✔ | 18 | 182 | 1 | 0.0 | 0.000 | 0.321 | (0;111) | ✗ | 02/02/17 |
Li7Sn2 | COD | 7221115 | Cmmm (65) | ✔ | 18 | 98 | 1 | 0.0 | 0.023 | 0.601 | (1;110) | ✗ | 02/02/17 |
Cs3CoCl5 | COD | 2011750 | I4/mcm (140) | ✔ | 18 | 158 | 1 | 0.0 | 0.000 | 0.321 | (0;111) | ✗ | 02/02/17 |
Sc4OsCl4 | ICSD | 421532 | C2/c (15) | ✔ | 18 | 176 | 3 | 0.5396 | 0.584 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbSb4F13 | COD | 5910267 | I4/m (87) | ✔ | 18 | 120 | 1 | 2.4717 | 2.485 | 0.000 | (0;000) | ✗ | 22/03/17 |
Na4CrO4 | ICSD | 62676 | P-1 (2) | ✔ | 18 | 148 | 1 | 0.0 | 0.004 | 0.733 | (1;010) | ✗ | 02/02/17 |
Cs3ZnCl5 | COD | 2213127 | I4/mcm (140) | ✔ | 18 | 148 | 1 | 4.4993 | 4.499 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs3NiCl5 | COD | 2007345 | I4/mcm (140) | ✔ | 18 | 144 | 1 | 0.0 | 0.018 | 0.280 | (0;000) | ✗ | 02/02/17 |