| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NClO4 | COD | 9016196 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.0 | 0.002 | 0.332 | (0;000) | ✗ | 04/08/17 |
| Fe2CuS3 | COD | 9000065 | Pnma (62) | ✔ | 24 | 180 | 3 | 0.0 | 0.000 | 0.457 | (1;110) | ✗ | 04/08/17 |
| TiCr2 | COD | 1525360 | P6_3/mmc (194) | ✔ | 24 | 320 | 3 | 0.0 | 0.002 | 0.951 | (1;000) | ✗ | 04/08/17 |
| B2OsW2 | ICSD | 615145 | Pnnm (58) | ✔ | 20 | 312 | 3 | 0.0 | 0.004 | 0.815 | (1;110) | ✗ | 11/04/17 |
| HgI2 | ICSD | 95272 | P-4m2 (115) | ✗ | 12 | 104 | 3 | 0.0 | 0.005 | 0.318 | (1;111) | ✔ | 29/03/17 |
| Ta6Fe7 | ICSD | 633791 | R-3m (166) | ✔ | 13 | 134 | 3 | 0.0 | 0.002 | 0.546 | (1;000) | ✗ | 22/03/17 |
| K(MoSe)3 | ICSD | 604517 | P6_3/m (176) | ✔ | 14 | 138 | 3 | 0.0 | 0.000 | 0.294 | (0;000) | ✗ | 24/04/17 |
| SiO2 | ICSD | 154321 | P2_1 (4) | ✗ | 12 | 64 | 1 | 0.0 | 0.002 | 0.694 | ? | ✗ | 29/03/17 |
| H6OF4 | ICSD | 32569 | P-1 (2) | ✔ | 22 | 80 | 1 | 0.0 | 0.009 | 0.628 | (1;000) | ✗ | 04/08/17 |
| Fe2AgS3 | COD | 9013697 | P2_1/c (14) | ✔ | 24 | 180 | 3 | 0.0 | 0.034 | 0.198 | (1;000) | ✗ | 04/08/17 |
| Cu2ClO3 | COD | 9004404 | P2_1/c (14) | ✔ | 24 | 188 | 3 | 0.0 | 0.004 | 0.717 | (1;010) | ✗ | 04/08/17 |
| Te2Au | COD | 1011091 | Pma2 (28) | ✗ | 24 | 184 | 3 | 0.0 | 0.002 | 0.593 | ? | ✗ | 04/08/17 |
| ZnHg3(SCl2)2 | ICSD | 420783 | P6_3mc (186) | ✗ | 20 | 176 | 2 | 0.0 | 0.095 | 0.073 | (0;000) | ✔ | 11/04/17 |
| Li2TlAu | COD | 1510222 | F-43m (216) | ✗ | 4 | 30 | 3 | 0.0 | 0.034 | 0.834 | ? | ✗ | 15/02/17 |
| TiNiSn | ICSD | 657175 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.0 | 0.029 | 0.249 | (0;000) | ✔ | 15/02/17 |
| Mn3As2 | ICSD | 75510 | C2/m (12) | ✔ | 10 | 110 | 3 | 0.0 | 0.006 | 0.766 | (1;000) | ✗ | 21/03/17 |
| Sc3P2 | ICSD | 41679 | Pnma (62) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.772 | (0;011) | ✗ | 29/03/17 |
| NiSeO3 | ICSD | 190004 | Pnma (62) | ✔ | 20 | 136 | 3 | 0.0 | 0.003 | 0.066 | (0;000) | ✗ | 02/02/17 |
| Zr(MnSn)6 | ICSD | 54928 | P6/mmm (191) | ✔ | 13 | 178 | 3 | 0.0 | 0.001 | 0.647 | (0;001) | ✗ | 02/02/17 |
| CoO | ICSD | 43458 | P6_3mc (186) | ✗ | 4 | 46 | 3 | 0.0 | 0.000 | 0.929 | ? | ✗ | 15/02/17 |
| Y6GaCo2 | ICSD | 601010 | Immm (71) | ✔ | 18 | 226 | 3 | 0.0 | 0.003 | 0.386 | (0;111) | ✗ | 22/03/17 |
| Sc2C3 | ICSD | 77396 | I-43d (220) | ✗ | 20 | 136 | 3 | 0.0 | 0.005 | 0.276 | (0;000) | ✔ | 15/03/17 |
| VP2O7 | ICSD | 39762 | C2/c (15) | ✔ | 20 | 130 | 3 | 0.0 | 0.000 | 0.285 | (1;011) | ✗ | 02/02/17 |
| Li2MnSiO4 | ICSD | 161305 | Pmn2_1 (31) | ✗ | 16 | 98 | 2 | 0.0 | 0.000 | 0.795 | ? | ✗ | 15/02/17 |
| CrHO2 | COD | 9015340 | Pmn2_1 (31) | ✗ | 8 | 54 | 3 | 0.0 | 0.000 | 0.917 | ? | ✗ | 15/02/17 |
| MnTlCl3 | ICSD | 32712 | Pnma (62) | ✔ | 20 | 196 | 1 | 0.0 | 0.001 | 0.161 | (0;011) | ✗ | 22/03/17 |
| K(TeMo)3 | ICSD | 603671 | P6_3/m (176) | ✔ | 14 | 138 | 3 | 0.0 | 0.000 | 0.307 | (0;000) | ✗ | 24/04/17 |
| Ca5Au2 | COD | 1510371 | C2/c (15) | ✔ | 14 | 144 | 1 | 0.0 | 0.033 | 0.673 | (0;110) | ✗ | 21/03/17 |
| ZrGaPt | ICSD | 152132 | P-62c (190) | ✗ | 18 | 162 | 3 | 0.0 | 0.000 | 0.418 | ? | ✗ | 22/03/17 |
| Rb2LiFeF6 | ICSD | 16400 | R-3m (166) | ✔ | 20 | 142 | 1 | 0.0 | 0.021 | 0.178 | (0;000) | ✗ | 22/03/17 |
| Ti2CrO5 | COD | 2002414 | C2/c (15) | ✔ | 16 | 136 | 3 | 0.0 | 0.004 | 0.425 | (0;000) | ✗ | 22/03/17 |
| Ba2Ti2Fe2As4O | ICSD | 263018 | I4/mmm (139) | ✔ | 11 | 86 | 1 | 0.0 | 0.008 | 0.714 | (0;111) | ✗ | 21/03/17 |
| KNiAu3(CN)6 | ICSD | 249724 | P312 (149) | ✗ | 17 | 106 | 3 | 0.0 | 0.000 | 0.677 | ? | ✗ | 21/03/17 |
| Cs2CoO3 | ICSD | 6154 | Cmce (64) | ✔ | 24 | 212 | 1 | 0.0 | 0.001 | 0.560 | (0;000) | ✗ | 04/08/17 |
| CrAg(PS3)2 | COD | 1000192 | P2/c (13) | ✔ | 20 | 142 | 2 | 0.0 | 0.000 | 0.260 | (0;000) | ✗ | 16/03/17 |
| K2MnF6 | ICSD | 60417 | P6_3mc (186) | ✗ | 18 | 150 | 1 | 0.0 | 0.000 | 0.805 | ? | ✗ | 22/03/17 |
| Zr5Sb4 | ICSD | 153609 | P6_3/mcm (193) | ✔ | 18 | 80 | 3 | 0.0 | 0.006 | 0.733 | (0;000) | ✗ | 02/02/17 |
| YVB4 | ICSD | 615679 | Pbam (55) | ✔ | 24 | 144 | 3 | 0.0 | 0.010 | 0.208 | (1;000) | ✗ | 04/08/17 |
| Zr3W5 | ICSD | 653434 | I4/mcm (140) | ✔ | 16 | 304 | 3 | 0.0 | 0.000 | 0.548 | (1;000) | ✗ | 11/04/17 |
| Ge4Te7As2 | ICSD | 68114 | R-3m (166) | ✔ | 13 | 68 | 2 | 0.0 | 0.020 | 0.022 | (1;000) | ✗ | 21/03/17 |
| KCr3S5 | ICSD | 604340 | C2/m (12) | ✔ | 18 | 162 | 3 | 0.0 | 0.002 | 0.704 | (1;110) | ✗ | 22/03/17 |
| CoGe | ICSD | 623422 | P2_13 (198) | ✗ | 8 | 84 | 3 | 0.0 | 0.000 | 0.232 | (1;110) | ✔ | 15/02/17 |
| LiVPO4F | ICSD | 184601 | P-1 (2) | ✔ | 16 | 104 | 3 | 0.0 | 0.004 | 0.701 | (0;000) | ✗ | 22/03/17 |
| CaSnAu | COD | 2019618 | Imm2 (44) | ✗ | 6 | 70 | 3 | 0.0 | 0.035 | 0.553 | ? | ✗ | 15/02/17 |
| B4W | ICSD | 615683 | P4/mbm (127) | ✔ | 20 | 160 | 3 | 0.0 | 0.005 | 0.388 | (1;000) | ✗ | 11/04/17 |
| ZrAu4 | COD | 1510544 | Pnma (62) | ✔ | 20 | 192 | 3 | 0.0 | 0.026 | 0.766 | (1;000) | ✗ | 21/03/17 |
| Bi2Pd3S2 | ICSD | 417634 | I2_13 (199) | ✗ | 14 | 192 | 3 | 0.0 | 0.000 | 0.820 | ? | ✗ | 21/03/17 |
| Zr5NiPb3 | ICSD | 604200 | P6_3/mcm (193) | ✔ | 18 | 144 | 3 | 0.0 | 0.002 | 0.824 | (0;000) | ✗ | 02/02/17 |
| ScSnPt | ICSD | 411822 | P-62c (190) | ✗ | 18 | 210 | 3 | 0.0 | 0.000 | 0.554 | ? | ✗ | 29/03/17 |
| ZrRe2 | ICSD | 650212 | P6_3/mmc (194) | ✔ | 12 | 136 | 3 | 0.0 | 0.006 | 0.789 | (0;000) | ✗ | 02/02/17 |
| YSiRu | ICSD | 88063 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.000 | 0.738 | (0;011) | ✗ | 02/02/17 |
| Li2Ni(WO4)2 | ICSD | 92853 | P-1 (2) | ✔ | 13 | 92 | 3 | 0.0 | 0.055 | 1.000 | (0;001) | ✗ | 29/03/17 |
| MnNb3O6 | COD | 1519036 | Immm (71) | ✔ | 20 | 180 | 3 | 0.0 | 0.007 | 0.314 | (0;000) | ✗ | 29/03/17 |
| Ca3Fe2Cl2O5 | ICSD | 69873 | I4/mmm (139) | ✔ | 12 | 90 | 1 | 0.0 | 0.002 | 0.778 | (0;000) | ✗ | 21/03/17 |
| CaCd2Pd | ICSD | 425509 | Pnma (62) | ✔ | 16 | 208 | 3 | 0.0 | 0.005 | 0.653 | (0;000) | ✗ | 21/03/17 |
| Ca2MnGaO5 | ICSD | 51466 | Ima2 (46) | ✗ | 18 | 156 | 3 | 0.0 | 0.003 | 0.785 | ? | ✗ | 21/03/17 |
| FeSi(CuS2)2 | ICSD | 627355 | Pmn2_1 (31) | ✗ | 16 | 116 | 3 | 0.0 | 0.000 | 0.507 | ? | ✗ | 22/03/17 |
| PbWO4 | COD | 1527935 | I4_1/a (88) | ✔ | 12 | 132 | 2 | 0.0 | 0.010 | 0.310 | (1;111) | ✗ | 11/04/17 |
| Ti3O5 | COD | 4512563 | C2/c (15) | ✔ | 16 | 132 | 3 | 0.0 | 0.005 | 0.399 | (1;000) | ✗ | 29/03/17 |
| MnCo(BiO3)2 | ICSD | 153856 | C2 (5) | ✗ | 20 | 196 | 3 | 0.0 | 0.001 | 0.519 | ? | ✗ | 21/03/17 |
| Sc2MnB2Rh5 | ICSD | 51436 | P4/mbm (127) | ✔ | 20 | 256 | 3 | 0.0 | 0.001 | 0.687 | (1;001) | ✗ | 21/03/17 |
| Hf3Sb | ICSD | 638878 | I-4 (82) | ✗ | 16 | 164 | 3 | 0.0 | 0.046 | 0.486 | ? | ✗ | 29/03/17 |
| V4GeS8 | ICSD | 50502 | F-43m (216) | ✗ | 13 | 104 | 3 | 0.0 | 0.000 | 0.188 | (0;000) | ✔ | 26/04/17 |
| Pd4Se | ICSD | 23864 | P-42_1c (114) | ✗ | 10 | 156 | 3 | 0.0 | 0.002 | 0.320 | ? | ✗ | 04/08/17 |
| TiSiOs | ICSD | 647795 | Ima2 (46) | ✗ | 18 | 192 | 3 | 0.0 | 0.036 | 0.576 | ? | ✗ | 29/03/17 |
| Ba2P3Pd | ICSD | 75019 | P2_1/c (14) | ✔ | 24 | 212 | 1 | 0.0 | 0.016 | 0.369 | (1;000) | ✗ | 04/08/17 |
| Cs2LiMnO4 | ICSD | 72361 | Cmc2_1 (36) | ✗ | 16 | 120 | 1 | 0.0 | 0.002 | 0.018 | (1;001) | ✔ | 26/04/17 |
| LiCdAs | ICSD | 609965 | F-43m (216) | ✗ | 3 | 20 | 3 | 0.0 | 0.000 | 0.009 | (1;000) | ✔ | 15/02/17 |
| Na2Ni3P2(HO5)2 | ICSD | 425698 | C2/m (12) | ✔ | 19 | 120 | 2 | 0.0 | 0.016 | 0.199 | (0;000) | ✗ | 28/03/17 |
| Pb3Au | COD | 1510273 | I-42m (121) | ✗ | 16 | 212 | 3 | 0.0 | 0.003 | 0.810 | ? | ✗ | 21/03/17 |
| Sc5Si3 | ICSD | 23932 | P6_3/mcm (193) | ✔ | 16 | 134 | 3 | 0.0 | 0.000 | 0.677 | (1;000) | ✗ | 02/02/17 |
| Al4CN3O | COD | 8100308 | Cmc2_1 (36) | ✗ | 18 | 74 | 3 | 0.0 | 0.000 | 0.704 | ? | ✗ | 21/03/17 |
| Hf3As2 | ICSD | 610637 | Pnma (62) | ✔ | 20 | 184 | 3 | 0.0 | 0.010 | 0.418 | (1;000) | ✗ | 21/03/17 |
| CrI2 | ICSD | 4073 | C2/m (12) | ✔ | 3 | 28 | 2 | 0.0 | 0.048 | 0.337 | (0;000) | ✗ | 22/03/17 |
| Ni3(BiS)2 | COD | 1525608 | C2/m (12) | ✔ | 14 | 144 | 3 | 0.0 | 0.030 | 0.821 | (1;111) | ✗ | 04/08/17 |
| ZrZnNi4 | COD | 1523279 | F-43m (216) | ✗ | 6 | 56 | 3 | 0.0 | 0.000 | 0.408 | ? | ✗ | 15/02/17 |
| VH6(OF)3 | ICSD | 69571 | R3m (160) | ✗ | 13 | 58 | 1 | 0.0 | 0.000 | 0.289 | (0;000) | ✔ | 15/02/17 |
| CaCd2Cu9 | ICSD | 424134 | P4/mbm (127) | ✔ | 24 | 266 | 3 | 0.0 | 0.000 | 0.906 | (0;111) | ✗ | 04/08/17 |
| TcP3 | ICSD | 35200 | Pnma (62) | ✔ | 16 | 120 | 2 | 0.0 | 0.026 | 1.000 | (1;000) | ✗ | 29/03/17 |
| Sr4In2N | ICSD | 62536 | I4_1/amd (141) | ✔ | 14 | 142 | 1 | 0.0 | 0.000 | 0.891 | (1;111) | ✗ | 29/03/17 |
| Bi2PdO4 | COD | 2002219 | I4cm (108) | ✗ | 14 | 144 | 3 | 0.0 | 0.002 | 0.167 | (0;000) | ✔ | 13/04/17 |
| FeMo3S4 | COD | 2106467 | P-1 (2) | ✔ | 16 | 148 | 3 | 0.0 | 0.018 | 0.308 | (0;001) | ✗ | 02/02/17 |
| Cs2Co3S4 | ICSD | 65256 | Ibam (72) | ✔ | 18 | 186 | 2 | 0.0 | 0.000 | 0.931 | (1;110) | ✗ | 22/03/17 |
| Ca5Au3 | COD | 1510483 | I4/mcm (140) | ✔ | 16 | 166 | 1 | 0.0 | 0.000 | 0.606 | (0;111) | ✗ | 21/03/17 |
| FeWO4 | COD | 9000223 | P2/c (13) | ✔ | 12 | 120 | 3 | 0.0 | 0.055 | 0.027 | (0;000) | ✗ | 11/04/17 |
| Sr3V2O7 | ICSD | 71320 | I4/mmm (139) | ✔ | 12 | 98 | 2 | 0.0 | 0.010 | 0.766 | (0;000) | ✗ | 29/03/17 |
| Si3Rh5 | ICSD | 43338 | Pbam (55) | ✔ | 16 | 194 | 3 | 0.0 | 0.000 | 0.908 | (1;100) | ✗ | 02/02/17 |
| LiMnVF6 | ICSD | 167073 | P4_2nm (102) | ✗ | 18 | 146 | 3 | 0.0 | 0.000 | 0.631 | ? | ✗ | 22/03/17 |
| RbTe | ICSD | 73179 | P-62m (189) | ✗ | 12 | 90 | 1 | 0.0 | 0.463 | 0.249 | (0;000) | ✔ | 11/04/17 |
| Cs3Sn4Au | ICSD | 107446 | Pmmn (59) | ✔ | 16 | 188 | 1 | 0.0 | 0.005 | 0.410 | (0;000) | ✗ | 21/03/17 |
| ScSn2 | ICSD | 106965 | I4_1/amd (141) | ✔ | 12 | 156 | 3 | 0.0 | 0.007 | 0.811 | (1;111) | ✗ | 29/03/17 |
| Rb4O3 | COD | 9014100 | I-43d (220) | ✗ | 14 | 108 | 1 | 0.0 | 0.000 | 0.570 | ? | ✗ | 29/03/17 |
| NaFeF4 | COD | 1527271 | P2_1/c (14) | ✔ | 24 | 180 | 2 | 0.0 | 0.003 | 0.391 | (0;000) | ✗ | 04/08/17 |
| TlBS2 | COD | 4027829 | R-3m (166) | ✔ | 24 | 168 | 2 | 0.0 | 0.038 | 1.000 | (1;011) | ✗ | 04/08/17 |
| LiSn | ICSD | 107516 | I4_1/amd (141) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.856 | (1;111) | ✗ | 29/03/17 |
| Ba2MnSe3 | ICSD | 26230 | Pnma (62) | ✔ | 24 | 212 | 1 | 0.0 | 0.000 | 0.902 | (0;101) | ✗ | 04/08/17 |
| MnF2 | COD | 1528224 | P-42m (111) | ✗ | 12 | 116 | 3 | 0.0 | 0.001 | 0.621 | ? | ✗ | 15/02/17 |
| Sr2Sb | COD | 9008353 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.013 | 0.055 | (0;111) | ✗ | 02/02/17 |
| TlSe | COD | 9008952 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 0.0 | 0.367 | 0.043 | (0;000) | ✗ | 02/02/17 |
| FeAg2SnS4 | COD | 1008963 | I-42m (121) | ✗ | 8 | 68 | 3 | 0.0 | 0.010 | 0.290 | (1;111) | ✔ | 16/03/17 |