Plotting...
| ▹ 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 |
| O2 | ICSD | 164724 | P6_3/mmc (194) | ✔ | 4 | 24 | 1 | 0.0 | 0.002 | 0.588 | (1;000) | ✗ | 27/01/17 |
| SrN | ICSD | 411555 | C2/m (12) | ✔ | 8 | 60 | 1 | 0.0 | 0.005 | 0.309 | (0;000) | ✗ | 27/01/17 |
| K6MnTe4 | ICSD | 65452 | P6_3mc (186) | ✗ | 22 | 186 | 1 | 0.0 | 0.000 | 0.563 | ? | ✗ | 07/08/17 |
| CSeN | COD | 4300548 | P2_12_12_1 (19) | ✗ | 24 | 120 | 1 | 2.4712 | 2.543 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaN3 | ICSD | 29383 | C2/m (12) | ✔ | 4 | 24 | 1 | 0.0 | 0.008 | 0.483 | (0;110) | ✗ | 27/01/17 |
| LiN | ICSD | 423831 | Immm (71) | ✔ | 8 | 32 | 1 | 0.0 | 0.013 | 0.846 | (0;000) | ✗ | 27/01/17 |
| Li3SbO4 | COD | 2012121 | P2/c (13) | ✔ | 16 | 76 | 1 | 3.4604 | 3.474 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2O | COD | 1514092 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 4.981 | 5.252 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li6TeO6 | ICSD | 40247 | R-3 (148) | ✔ | 13 | 60 | 1 | 3.3411 | 3.564 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li9S3N | ICSD | 240749 | Pm-3m (221) | ✔ | 13 | 50 | 1 | 2.4212 | 2.421 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2S | COD | 9009060 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 3.3651 | 4.208 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2Se | COD | 9009061 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 2.8431 | 3.253 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2Te | COD | 9009062 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 2.2058 | 2.887 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs3GeF7 | COD | 1529575 | P4/mbm (127) | ✔ | 22 | 160 | 1 | 5.2136 | 5.214 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Rb2Cr2O7 | COD | 8100514 | P-1 (2) | ✔ | 22 | 176 | 1 | 2.8086 | 2.822 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Rb2Cr2O7 | COD | 1527737 | C2/c (15) | ✔ | 22 | 176 | 1 | 2.8743 | 2.900 | 0.000 | (0;000) | ✗ | 07/08/17 |
| K6CoS4 | ICSD | 68603 | P6_3mc (186) | ✗ | 22 | 190 | 1 | 0.0 | 0.000 | 0.534 | ? | ✗ | 07/08/17 |
| SnPCl9 | ICSD | 60094 | Cmme (67) | ✔ | 22 | 164 | 1 | 2.9724 | 3.002 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Nb3Cl8 | ICSD | 408645 | P-3m1 (164) | ✔ | 22 | 190 | 1 | 0.0 | 0.002 | 0.823 | (1;000) | ✗ | 07/08/17 |
| Cs6Cl4O | ICSD | 411634 | R-3c (167) | ✔ | 22 | 176 | 1 | 2.4126 | 2.413 | 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 |
| K4CdCl6 | COD | 1527141 | R-3c (167) | ✔ | 22 | 180 | 1 | 4.2284 | 4.251 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Li8SnO6 | COD | 1528146 | R-3 (148) | ✔ | 15 | 74 | 1 | 3.6772 | 3.690 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca3(CoO3)2 | ICSD | 245502 | R-3c (167) | ✔ | 22 | 200 | 1 | 0.1651 | 0.183 | 0.000 | (0;000) | ✗ | 07/08/17 |
| K4MnBr6 | ICSD | 42442 | R-3c (167) | ✔ | 22 | 186 | 1 | 0.0 | 0.000 | 0.201 | (0;000) | ✗ | 07/08/17 |
| TiBr4 | ICSD | 22103 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 2.4494 | 2.474 | 0.000 | (0;000) | ✗ | 07/08/17 |
| LiN3 | ICSD | 34675 | C2/m (12) | ✔ | 4 | 18 | 1 | 3.7952 | 4.288 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li4TiO4 | ICSD | 75164 | Cmcm (63) | ✔ | 18 | 96 | 1 | 4.6086 | 4.673 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2ZnS3 | ICSD | 422028 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.3757 | 2.376 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TlP5 | COD | 1527898 | Pmc2_1 (26) | ✗ | 24 | 152 | 1 | 1.0559 | 1.181 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li2NiO2 | ICSD | 25000 | Immm (71) | ✔ | 5 | 28 | 1 | 0.6319 | 1.114 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KTlO | COD | 1528008 | C2/m (12) | ✔ | 6 | 56 | 1 | 1.2719 | 1.734 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li | ICSD | 20928 | P6_3/mmc (194) | ✔ | 2 | 6 | 1 | 0.0 | 0.000 | 0.670 | (1;000) | ✗ | 27/01/17 |
| SrPO4 | COD | 9015018 | P-1 (2) | ✔ | 24 | 156 | 1 | 0.0 | 0.002 | 0.180 | (1;001) | ✗ | 04/08/17 |
| Rb2PbO3 | COD | 1525242 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.4824 | 1.484 | 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 |
| Rb3V5O14 | COD | 4316137 | P31m (157) | ✗ | 22 | 176 | 1 | 2.1177 | 2.207 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KSbO2 | ICSD | 411214 | C2/c (15) | ✔ | 8 | 52 | 1 | 1.9478 | 1.951 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KMnSb | COD | 1521901 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.824 | (1;000) | ✗ | 27/01/17 |
| NaNb3O8 | COD | 1001745 | Pmmn (59) | ✔ | 24 | 192 | 1 | 3.1021 | 3.402 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na6PbO5 | ICSD | 21036 | Cmcm (63) | ✔ | 24 | 196 | 1 | 1.1219 | 1.122 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KMnP | COD | 1521902 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.821 | (1;000) | ✗ | 27/01/17 |
| Na2PSe3 | ICSD | 415240 | Cmce (64) | ✔ | 24 | 164 | 1 | 1.9493 | 2.108 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na2SeO3 | COD | 9007931 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 4.4238 | 4.459 | 0.000 | (0;000) | ✗ | 04/08/17 |
| S5N6 | COD | 1529768 | C2/c (15) | ✔ | 22 | 120 | 1 | 2.2357 | 2.285 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KMgSb | COD | 9008327 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.0987 | 1.115 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KMgP | ICSD | 641231 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.6702 | 1.715 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li6WN4 | ICSD | 153620 | P4_2/nmc (137) | ✔ | 22 | 132 | 1 | 2.9707 | 3.006 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li6MoN4 | ICSD | 66095 | P4_2/nmc (137) | ✔ | 22 | 104 | 1 | 2.6915 | 2.731 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K3Sb | ICSD | 44677 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.6121 | 0.612 | 0.000 | (0;000) | ✗ | 27/01/17 |