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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Mo3Pd2N | COD | 7221282 | P4_132 (213) | ✗ | 24 | 332 | 3 | 0.0 | 0.000 | 0.495 | ? | ✗ | 04/08/17 |
| NaSe2 | ICSD | 402584 | I-42d (122) | ✗ | 24 | 168 | 1 | 1.2186 | 1.261 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NbSbO4 | COD | 1530606 | Pna2_1 (33) | ✗ | 24 | 168 | 3 | 0.0 | 2.791 | 1.000 | ? | ✗ | 04/08/17 |
| Rb3V5O14 | COD | 4316137 | P31m (157) | ✗ | 22 | 176 | 1 | 2.1177 | 2.207 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SiO2 | COD | 1010921 | P2_13 (198) | ✗ | 24 | 128 | 3 | 4.1689 | 4.182 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SiO2 | COD | 4124071 | P1 (1) | ✗ | 24 | 128 | 3 | 0.0 | 0.030 | 0.780 | ? | ✗ | 04/08/17 |
| SnWO4 | ICSD | 2840 | P2_13 (198) | ✗ | 24 | 264 | 3 | 3.7074 | 3.710 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ti3O | ICSD | 36055 | P312 (149) | ✗ | 24 | 252 | 3 | 0.0 | 0.003 | 0.681 | ? | ✗ | 04/08/17 |
| Pd4Se | ICSD | 23864 | P-42_1c (114) | ✗ | 10 | 156 | 3 | 0.0 | 0.002 | 0.320 | ? | ✗ | 04/08/17 |
| TaTe4Ru | ICSD | 656452 | Pmn2_1 (31) | ✗ | 24 | 212 | 2 | 0.0 | 0.002 | 0.844 | ? | ✗ | 04/08/17 |
| Na2Tl | COD | 2310211 | C222_1 (20) | ✗ | 24 | 248 | 1 | 2.2658 | 0.018 | 1.000 | (0;000) | ✗ | 07/08/17 |
| Ca4Cl6O | ICSD | 33883 | P6_3mc (186) | ✗ | 22 | 176 | 1 | 5.3109 | 5.345 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Cd4GeSe6 | COD | 8100910 | Cc (9) | ✗ | 22 | 176 | 3 | 0.7097 | 0.710 | 0.000 | (0;000) | ✗ | 07/08/17 |
| CdI2 | COD | 8103504 | P3m1 (156) | ✗ | 21 | 182 | 1 | 1.9491 | 2.170 | 0.000 | (0;000) | ✗ | 07/08/17 |
| CdI2 | ICSD | 42211 | P3m1 (156) | ✗ | 21 | 182 | 1 | 1.9371 | 2.162 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Na6CoS4 | ICSD | 624260 | P6_3mc (186) | ✗ | 22 | 190 | 1 | 0.0 | 0.000 | 0.828 | ? | ✗ | 07/08/17 |
| Cs4O3 | COD | 9014646 | I-43d (220) | ✗ | 14 | 108 | 1 | 0.0 | 0.000 | 0.385 | ? | ✗ | 07/08/17 |
| PbI2 | ICSD | 23763 | P3m1 (156) | ✗ | 21 | 196 | 1 | 1.4109 | 1.411 | 0.000 | (0;000) | ✗ | 07/08/17 |
| K6MgO4 | ICSD | 2340 | P6_3mc (186) | ✗ | 22 | 176 | 2 | 1.7997 | 1.800 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Na6MnTe4 | ICSD | 65451 | P6_3mc (186) | ✗ | 22 | 186 | 1 | 0.0 | 0.000 | 0.628 | ? | ✗ | 07/08/17 |
| Na10SrSn12 | COD | 4320350 | I-43m (217) | ✗ | 23 | 268 | 1 | 0.6938 | 0.724 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Sr2Ta2O7 | COD | 2106523 | Cmc2_1 (36) | ✗ | 22 | 176 | 2 | 3.1509 | 3.166 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Pd7Se4 | ICSD | 90788 | P2_12_12 (18) | ✗ | 22 | 300 | 3 | 0.0 | 0.003 | 0.528 | ? | ✗ | 07/08/17 |
| CdI2 | ICSD | 37377 | P3m1 (156) | ✗ | 21 | 182 | 1 | 1.9991 | 2.175 | 0.000 | (0;000) | ✗ | 07/08/17 |
| CdI2 | ICSD | 42216 | P3m1 (156) | ✗ | 24 | 208 | 1 | 1.9233 | 2.148 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ZnS | ICSD | 107133 | P3m1 (156) | ✗ | 16 | 144 | 3 | 2.0809 | 2.081 | 0.000 | (0;000) | ✗ | 29/03/17 |
| GaSe | ICSD | 2002 | P6_3mc (186) | ✗ | 16 | 152 | 1 | 0.8502 | 0.851 | 0.000 | (0;000) | ✗ | 22/03/17 |
| C5N4 | ICSD | 2130 | R3c (161) | ✗ | 18 | 80 | 3 | 6.2909 | 6.303 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CdI2 | ICSD | 27292 | P3m1 (156) | ✗ | 18 | 156 | 1 | 0.0 | 0.017 | 0.607 | ? | ✗ | 22/03/17 |
| S3N2O | COD | 7005890 | Cc (9) | ✗ | 12 | 68 | 1 | 2.1634 | 2.250 | 0.000 | (0;000) | ✗ | 29/03/17 |
| S | ICSD | 20710 | P3 (143) | ✗ | 18 | 108 | 1 | 0.0 | 0.000 | 0.757 | ? | ✗ | 29/03/17 |
| CdI2 | ICSD | 49572 | P3m1 (156) | ✗ | 24 | 208 | 1 | 1.9452 | 2.156 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ZnS | ICSD | 107137 | P3m1 (156) | ✗ | 24 | 216 | 2 | 0.0 | 0.013 | 0.490 | ? | ✗ | 04/08/17 |
| Ca3Cd2 | ICSD | 30082 | P4_2nm (102) | ✗ | 20 | 216 | 1 | 0.0 | 0.005 | 0.342 | ? | ✗ | 08/08/17 |
| Pd16S7 | COD | 9009819 | I-43m (217) | ✗ | 23 | 330 | 3 | 0.0 | 0.000 | 0.651 | ? | ✗ | 07/08/17 |
| Zr(MoO4)2 | ICSD | 98167 | Pmn2_1 (31) | ✗ | 22 | 160 | 3 | 2.7607 | 2.799 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Mn(NbS2)3 | ICSD | 643019 | P6_322 (182) | ✗ | 20 | 180 | 3 | 0.0 | 0.009 | 0.277 | ? | ✗ | 07/08/17 |
| Na6MnS4 | COD | 1531188 | P6_3mc (186) | ✗ | 22 | 186 | 1 | 0.0 | 0.000 | 0.568 | ? | ✗ | 07/08/17 |
| SrIn | ICSD | 414234 | Fdd2 (43) | ✗ | 16 | 184 | 1 | 0.0 | 0.007 | 0.314 | ? | ✗ | 07/08/17 |
| K6HgS4 | COD | 9009861 | P6_3mc (186) | ✗ | 22 | 180 | 1 | 1.7141 | 1.715 | 0.000 | (0;000) | ✗ | 07/08/17 |
| V4P2C | ICSD | 42388 | P-62m (189) | ✗ | 21 | 198 | 3 | 0.0 | 0.000 | 0.817 | ? | ✗ | 07/08/17 |
| K6CoSe4 | ICSD | 68605 | P6_3mc (186) | ✗ | 22 | 190 | 1 | 0.0 | 0.000 | 0.550 | ? | ✗ | 07/08/17 |
| K6CoS4 | ICSD | 68603 | P6_3mc (186) | ✗ | 22 | 190 | 1 | 0.0 | 0.000 | 0.534 | ? | ✗ | 07/08/17 |
| Na10CaSn12 | COD | 4320349 | I-43m (217) | ✗ | 23 | 268 | 1 | 0.6893 | 0.709 | 0.000 | (0;000) | ✗ | 07/08/17 |
| In5Se5Br | ICSD | 414218 | Pmn2_1 (31) | ✗ | 22 | 204 | 3 | 0.6795 | 0.833 | 0.000 | (0;000) | ✗ | 07/08/17 |
| ZnS | ICSD | 42799 | P3m1 (156) | ✗ | 24 | 216 | 2 | 0.0 | 0.021 | 0.469 | ? | ✗ | 04/08/17 |
| Sb2S3 | ICSD | 85302 | Pmn2_1 (31) | ✗ | 20 | 112 | 2 | 0.0 | 0.034 | 0.132 | ? | ✗ | 04/08/17 |
| TlP5 | COD | 1527898 | Pmc2_1 (26) | ✗ | 24 | 152 | 1 | 1.0559 | 1.181 | 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 |
| VRe2O9 | ICSD | 92317 | Cmc2_1 (36) | ✗ | 24 | 194 | 3 | 0.0 | 0.000 | 0.985 | ? | ✗ | 04/08/17 |
| VO2 | ICSD | 34419 | F222 (22) | ✗ | 24 | 200 | 3 | 0.0 | 0.004 | 0.748 | ? | ✗ | 04/08/17 |
| SeO2 | ICSD | 99465 | Pmc2_1 (26) | ✗ | 24 | 144 | 1 | 3.7562 | 3.959 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Tl3V5O14 | COD | 4316138 | P31m (157) | ✗ | 22 | 188 | 1 | 1.8245 | 1.855 | 0.000 | (0;000) | ✗ | 04/08/17 |
| S2N | COD | 2101578 | P4_2nm (102) | ✗ | 24 | 136 | 1 | 1.4175 | 1.598 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NbNiTe2 | ICSD | 71841 | Pma2 (28) | ✗ | 16 | 140 | 2 | 0.0 | 0.003 | 0.197 | ? | ✗ | 04/08/17 |
| NaPt2Se3 | ICSD | 78788 | P6_3mc (186) | ✗ | 24 | 188 | 1 | 0.8222 | 0.854 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ni2Mo3N | COD | 6000257 | P4_132 (213) | ✗ | 24 | 268 | 3 | 0.0 | 0.000 | 0.511 | ? | ✗ | 04/08/17 |
| Mg3Pt | ICSD | 54253 | P6_3cm (185) | ✗ | 24 | 240 | 3 | 0.0 | 0.000 | 0.639 | ? | ✗ | 04/08/17 |
| Mg3Pd | COD | 8102899 | P6_3cm (185) | ✗ | 24 | 288 | 3 | 0.0 | 0.000 | 0.732 | ? | ✗ | 04/08/17 |
| Na2In | ICSD | 106857 | C222_1 (20) | ✗ | 24 | 248 | 1 | 0.0 | 0.056 | 0.259 | ? | ✗ | 04/08/17 |
| Y4InIr | ICSD | 418567 | F-43m (216) | ✗ | 24 | 296 | 3 | 0.0 | 0.015 | 0.421 | ? | ✗ | 04/08/17 |
| S4I2O15 | ICSD | 427675 | P1 (1) | ✗ | 21 | 128 | 2 | 2.4767 | 2.599 | 0.000 | (0;000) | ✗ | 04/08/17 |
| GeS2 | COD | 4123671 | I-42d (122) | ✗ | 24 | 128 | 3 | 2.4056 | 2.410 | 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 |
| Na6FeSe4 | ICSD | 72304 | P6_3mc (186) | ✗ | 22 | 172 | 1 | 0.0 | 0.000 | 0.503 | ? | ✗ | 04/08/17 |
| RbTlF4 | ICSD | 4047 | Pca2_1 (29) | ✗ | 24 | 200 | 1 | 3.1437 | 3.213 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H7NF4 | ICSD | 38337 | R3c (161) | ✗ | 24 | 80 | 1 | 6.3595 | 6.400 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsCuSe4 | ICSD | 75195 | P2_12_12_1 (19) | ✗ | 24 | 176 | 1 | 1.1847 | 1.207 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CrWO4 | ICSD | 36213 | F222 (22) | ✗ | 24 | 264 | 3 | 0.0 | 0.000 | 0.694 | ? | ✗ | 04/08/17 |
| NbCo3 | ICSD | 150944 | P6_3mc (186) | ✗ | 24 | 384 | 3 | 0.0 | 0.000 | 0.801 | ? | ✗ | 04/08/17 |
| Co2Mo3N | COD | 1532001 | P4_132 (213) | ✗ | 24 | 324 | 3 | 0.0 | 0.000 | 0.583 | ? | ✗ | 04/08/17 |
| NaFeCl4 | COD | 1528827 | P2_12_12_1 (19) | ✗ | 24 | 180 | 1 | 0.0 | 0.000 | 0.328 | ? | ✗ | 04/08/17 |
| KFeCl4 | COD | 4030153 | P2_1 (4) | ✗ | 24 | 180 | 1 | 0.0 | 0.001 | 0.784 | ? | ✗ | 04/08/17 |
| SbCl3F2 | COD | 4031372 | I4 (79) | ✗ | 24 | 160 | 1 | 2.0855 | 2.122 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CrCl3 | COD | 1010575 | P3_212 (153) | ✗ | 24 | 210 | 2 | 0.0 | 0.002 | 0.594 | ? | ✗ | 04/08/17 |
| CdI2 | ICSD | 42200 | P3m1 (156) | ✗ | 24 | 208 | 1 | 1.9257 | 2.155 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CdI2 | ICSD | 108921 | P3m1 (156) | ✗ | 24 | 208 | 1 | 1.9384 | 2.162 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ca3Ti2O7 | ICSD | 63705 | Cmc2_1 (36) | ✗ | 24 | 192 | 2 | 2.5075 | 2.512 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ca3Ru2O7 | ICSD | 153772 | Cmc2_1 (36) | ✗ | 24 | 208 | 2 | 0.0 | 0.012 | 0.483 | ? | ✗ | 04/08/17 |
| H5(CO)3 | COD | 2008148 | C2 (5) | ✗ | 22 | 70 | 1 | 4.3743 | 4.379 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsHC2 | ICSD | 107491 | R3c (161) | ✗ | 24 | 108 | 1 | 4.3992 | 4.467 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2SnBr6 | COD | 1010449 | P42_12 (90) | ✗ | 18 | 148 | 3 | 0.0 | 0.005 | 0.146 | ? | ✗ | 04/08/17 |
| Li2BPt3 | COD | 1511225 | P4_332 (212) | ✗ | 24 | 156 | 3 | 0.0 | 0.000 | 0.530 | ? | ✗ | 04/08/17 |
| BaP10 | ICSD | 35295 | Cmc2_1 (36) | ✗ | 22 | 120 | 1 | 1.0907 | 1.345 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaTi2O5 | COD | 2013673 | C2 (5) | ✗ | 24 | 192 | 3 | 2.2987 | 2.801 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaGa4Se7 | COD | 4316718 | Pc (7) | ✗ | 24 | 208 | 3 | 1.5971 | 1.597 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ba2MnO3 | COD | 2002251 | Cc (9) | ✗ | 24 | 212 | 3 | 0.0 | 0.000 | 0.113 | ? | ✗ | 04/08/17 |
| B4PbO7 | ICSD | 185673 | Pmn2_1 (31) | ✗ | 24 | 136 | 3 | 3.7884 | 4.333 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Hf(BH4)4 | ICSD | 35379 | P-43m (215) | ✗ | 21 | 40 | 1 | 5.6325 | 5.633 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Mg(BH4)2 | ICSD | 262083 | P4_2nm (102) | ✗ | 22 | 48 | 3 | 5.5084 | 5.786 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cd(BH4)2 | ICSD | 262600 | P4_2nm (102) | ✗ | 22 | 52 | 3 | 3.7041 | 3.716 | 0.000 | (0;000) | ✗ | 04/08/17 |
| AlCuCl4 | COD | 4322713 | Pna2_1 (33) | ✗ | 24 | 168 | 3 | 2.5852 | 2.585 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ca4Al6O13 | ICSD | 245370 | I-43m (217) | ✗ | 23 | 136 | 3 | 4.0244 | 4.073 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaAl4S7 | COD | 1518017 | Pmn2_1 (31) | ✗ | 24 | 128 | 3 | 3.0756 | 3.286 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsAgSe4 | COD | 1509283 | P2_12_12_1 (19) | ✗ | 24 | 176 | 1 | 1.2858 | 1.302 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SrSi2 | ICSD | 652289 | P4_332 (212) | ✗ | 12 | 72 | 3 | 0.0 | 0.003 | 0.068 | (0;000) | ✔ | 26/04/17 |
| NbSeI | COD | 1008284 | F-43m (216) | ✗ | 12 | 104 | 3 | 0.0 | 0.000 | 0.183 | (1;000) | ✔ | 26/04/17 |
| In7GeIrO8 | ICSD | 417829 | F-43m (216) | ✗ | 17 | 160 | 3 | 0.2332 | 0.266 | 0.000 | (0;000) | ✔ | 26/04/17 |
| CsGa3 | COD | 1525535 | I-4m2 (119) | ✗ | 12 | 144 | 3 | 0.0 | 0.104 | 0.100 | (0;000) | ✔ | 26/04/17 |
| Te2Au | COD | 9011456 | Pc (7) | ✗ | 12 | 92 | 3 | 0.0 | 0.134 | 0.109 | (0;000) | ✔ | 26/04/17 |