▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tl2TeS3 | COD | 4001280 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.0895 | 1.190 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2Tl | COD | 2310211 | C222_1 (20) | ✗ | 24 | 248 | 1 | 2.2658 | 0.018 | 1.000 | (0;000) | ✗ | 07/08/17 |
Ca8Al3 | ICSD | 165240 | P-1 (2) | ✔ | 22 | 178 | 1 | 0.0 | 0.006 | 0.479 | (0;000) | ✗ | 07/08/17 |
Li5ReO6 | ICSD | 74982 | C2/m (12) | ✔ | 12 | 66 | 1 | 2.3121 | 2.393 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba5CrN5 | ICSD | 82360 | C2/m (12) | ✔ | 22 | 178 | 1 | 0.1358 | 0.333 | 0.000 | (0;000) | ✗ | 07/08/17 |
Rb4CdBr6 | ICSD | 60625 | R-3c (167) | ✔ | 22 | 180 | 1 | 0.0 | 0.004 | 0.321 | (1;000) | ✗ | 07/08/17 |
Ca4Cl6O | ICSD | 33883 | P6_3mc (186) | ✗ | 22 | 176 | 1 | 5.3109 | 5.345 | 0.000 | (0;000) | ✗ | 07/08/17 |
Ca5(GaN2)2 | ICSD | 40372 | Cmce (64) | ✔ | 22 | 192 | 1 | 0.0 | 0.007 | 0.018 | (0;110) | ✗ | 07/08/17 |
CdI2 | COD | 2106203 | P3m1 (156) | ✗ | 21 | 182 | 1 | 1.9772 | 2.174 | 0.000 | (0;000) | ✗ | 07/08/17 |
CdI2 | ICSD | 37377 | P3m1 (156) | ✗ | 21 | 182 | 1 | 1.9991 | 2.175 | 0.000 | (0;000) | ✗ | 07/08/17 |
TiCl4 | COD | 9007929 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 3.374 | 3.414 | 0.000 | (0;000) | ✗ | 07/08/17 |
Cs4PbCl6 | ICSD | 41382 | R-3c (167) | ✔ | 22 | 184 | 1 | 3.5486 | 3.549 | 0.000 | (0;000) | ✗ | 07/08/17 |
Re4Cl8O9 | COD | 1524180 | P-1 (2) | ✔ | 21 | 170 | 1 | 1.2481 | 1.264 | 0.000 | (0;000) | ✗ | 07/08/17 |
TiPCl9 | ICSD | 23137 | P-1 (2) | ✔ | 22 | 160 | 1 | 2.419 | 2.450 | 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 |
K2Cr2O7 | COD | 2010992 | C2/c (15) | ✔ | 22 | 176 | 1 | 2.8202 | 2.822 | 0.000 | (0;000) | ✗ | 07/08/17 |
Cs3CrF7 | COD | 1531505 | P4/mbm (127) | ✔ | 22 | 180 | 1 | 0.0 | 0.004 | 0.346 | (0;000) | ✗ | 07/08/17 |
Cs3MnF7 | COD | 1531507 | P4/mbm (127) | ✔ | 22 | 182 | 1 | 0.0 | 0.000 | 0.959 | (0;001) | ✗ | 07/08/17 |
Li4SiO4 | COD | 1532523 | P-1 (2) | ✔ | 18 | 80 | 1 | 4.9579 | 5.193 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs4O3 | COD | 9014646 | I-43d (220) | ✗ | 14 | 108 | 1 | 0.0 | 0.000 | 0.385 | ? | ✗ | 07/08/17 |
Na3(CuS)4 | COD | 7221194 | Pbam (55) | ✔ | 22 | 190 | 1 | 0.0 | 0.000 | 0.997 | (0;100) | ✗ | 07/08/17 |
Rb4Fe2O5 | ICSD | 154291 | C2/c (15) | ✔ | 22 | 164 | 1 | 0.0 | 0.004 | 0.266 | (0;000) | ✗ | 07/08/17 |
PbI2 | ICSD | 23763 | P3m1 (156) | ✗ | 21 | 196 | 1 | 1.4109 | 1.411 | 0.000 | (0;000) | ✗ | 07/08/17 |
Nb(Te2I3)2 | ICSD | 78371 | P-1 (2) | ✔ | 22 | 158 | 1 | 0.5229 | 0.606 | 0.000 | (0;000) | ✗ | 07/08/17 |
CdI2 | ICSD | 30813 | P3m1 (156) | ✗ | 21 | 182 | 1 | 1.9735 | 2.176 | 0.000 | (0;000) | ✗ | 07/08/17 |
Rb4In2S5 | ICSD | 23253 | P-1 (2) | ✔ | 22 | 184 | 1 | 2.2237 | 2.224 | 0.000 | (0;000) | ✗ | 07/08/17 |
K6MnS4 | ICSD | 65448 | P6_3mc (186) | ✗ | 22 | 186 | 1 | 0.0 | 0.000 | 0.494 | ? | ✗ | 07/08/17 |
K6MnSe4 | ICSD | 65450 | P6_3mc (186) | ✗ | 22 | 186 | 1 | 0.0 | 0.000 | 0.544 | ? | ✗ | 07/08/17 |
Li2W2O7 | COD | 2106564 | P-1 (2) | ✔ | 22 | 208 | 1 | 3.7985 | 3.863 | 0.000 | (0;000) | ✗ | 07/08/17 |
Na10SrSn12 | COD | 4320350 | I-43m (217) | ✗ | 23 | 268 | 1 | 0.6938 | 0.724 | 0.000 | (0;000) | ✗ | 07/08/17 |
Na5NbO5 | ICSD | 72298 | C2/c (15) | ✔ | 22 | 176 | 1 | 2.6434 | 2.643 | 0.000 | (0;000) | ✗ | 07/08/17 |
S3N2O | COD | 7005890 | Cc (9) | ✗ | 12 | 68 | 1 | 2.1634 | 2.250 | 0.000 | (0;000) | ✗ | 29/03/17 |
Rb9O2 | COD | 1528075 | P2_1/m (11) | ✔ | 22 | 186 | 1 | 0.0 | 0.000 | 0.830 | (1;010) | ✗ | 07/08/17 |
CsAg2I3 | COD | 2310071 | Pnma (62) | ✔ | 24 | 208 | 1 | 1.9316 | 1.932 | 0.000 | (0;000) | ✗ | 08/08/17 |
CsAg2I3 | ICSD | 150308 | Pnma (62) | ✔ | 24 | 208 | 1 | 1.9533 | 1.953 | 0.000 | (0;000) | ✗ | 08/08/17 |
CdI2 | ICSD | 44795 | P3m1 (156) | ✗ | 18 | 156 | 1 | 1.991 | 2.171 | 0.000 | (0;000) | ✗ | 22/03/17 |
Ca3Cd2 | ICSD | 30082 | P4_2nm (102) | ✗ | 20 | 216 | 1 | 0.0 | 0.005 | 0.342 | ? | ✗ | 08/08/17 |
Cs4Fe2S5 | COD | 4341950 | P-1 (2) | ✔ | 22 | 164 | 1 | 0.0 | 0.011 | 0.439 | (0;101) | ✗ | 08/08/17 |
CdI2 | ICSD | 42255 | P3m1 (156) | ✗ | 18 | 156 | 1 | 1.9404 | 2.159 | 0.000 | (0;000) | ✗ | 22/03/17 |
SrSi | ICSD | 42140 | Immm (71) | ✔ | 20 | 140 | 1 | 0.0 | 0.004 | 0.379 | (0;000) | ✗ | 02/02/17 |
KPS3 | ICSD | 33278 | Immm (71) | ✔ | 10 | 64 | 1 | 1.7043 | 1.718 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNO3 | ICSD | 85491 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.5677 | 3.595 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2S | ICSD | 27461 | P6_3/mmc (194) | ✔ | 6 | 48 | 1 | 1.076 | 1.076 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2P3 | ICSD | 33259 | Fmmm (69) | ✔ | 10 | 66 | 1 | 0.6919 | 0.692 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrI4 | ICSD | 62243 | P-1 (2) | ✔ | 20 | 128 | 1 | 1.0239 | 1.068 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlI3 | ICSD | 61349 | Pnma (62) | ✔ | 16 | 136 | 1 | 1.333 | 1.387 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdI2 | ICSD | 6066 | P-3m1 (164) | ✔ | 18 | 156 | 1 | 1.9709 | 2.171 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba | ICSD | 280680 | P6/mmm (191) | ✔ | 2 | 20 | 1 | 0.0 | 0.000 | 0.916 | (1;001) | ✗ | 02/02/17 |
KI | ICSD | 61661 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 3.6931 | 3.693 | 0.000 | (0;000) | ✗ | 30/01/17 |
O2 | ICSD | 236857 | C2/m (12) | ✔ | 8 | 48 | 1 | 0.0 | 0.401 | 0.146 | (0;000) | ✗ | 27/01/17 |