Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ca2Ge | ICSD | 44854 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.3479 | 0.348 | 0.000 | (0;000) | ✗ | 02/02/17 |
| YI3 | COD | 2206574 | R-3 (148) | ✔ | 8 | 64 | 2 | 2.4264 | 2.773 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cl2 | COD | 9015583 | P4_2/ncm (138) | ✔ | 16 | 112 | 1 | 0.2095 | 0.551 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na6S2ClO8F | COD | 1011182 | Fm-3m (225) | ✔ | 18 | 128 | 1 | 4.6318 | 4.636 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3BAs2 | ICSD | 300105 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.3279 | 1.768 | 0.000 | (0;000) | ✗ | 30/01/17 |
| H8Pt(NCl3)2 | ICSD | 97927 | Fm-3m (225) | ✔ | 17 | 70 | 1 | 1.6827 | 1.683 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2Br2O | ICSD | 423479 | Ibam (72) | ✔ | 10 | 80 | 1 | 3.1921 | 3.288 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2SnBr6 | ICSD | 158957 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 1.1057 | 1.106 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KInBr3 | ICSD | 50510 | P-3 (147) | ✔ | 20 | 172 | 1 | 2.4275 | 2.428 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2TiCl6 | ICSD | 26934 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 2.069 | 2.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrF4 | COD | 2019609 | P2_1/c (14) | ✔ | 20 | 128 | 3 | 5.2782 | 5.321 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AgSe3I | COD | 4027807 | Pmna (53) | ✔ | 20 | 144 | 3 | 1.3117 | 1.355 | 0.000 | (0;000) | ✗ | 30/01/17 |
| AsS | COD | 9015797 | C2/c (15) | ✔ | 16 | 88 | 1 | 1.7512 | 1.920 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CuTe2Cl | ICSD | 641 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.517 | 0.717 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl2PAuS4 | ICSD | 85680 | P2_1/m (11) | ✔ | 16 | 132 | 2 | 0.9005 | 0.970 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdInBr3 | ICSD | 79512 | Pnma (62) | ✔ | 20 | 184 | 2 | 2.0556 | 2.245 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiI | COD | 9008669 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 3.9399 | 3.940 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BaCl2 | COD | 1527182 | Pnma (62) | ✔ | 12 | 96 | 1 | 4.8999 | 4.900 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsBiS2 | ICSD | 72975 | P2_1/c (14) | ✔ | 16 | 144 | 1 | 1.5688 | 1.689 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiIn(SiO3)2 | COD | 9008457 | C2/c (15) | ✔ | 20 | 120 | 3 | 4.0232 | 4.156 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrCa(CO3)2 | ICSD | 201461 | Pmc2_1 (26) | ✗ | 20 | 128 | 1 | 4.2035 | 4.204 | 0.000 | (0;000) | ✗ | 21/03/17 |
| PS | COD | 2106562 | C2/c (15) | ✔ | 16 | 88 | 1 | 1.9547 | 2.002 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlFeI3 | ICSD | 26423 | Pnma (62) | ✔ | 20 | 168 | 1 | 0.2199 | 0.321 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2PtCl4 | COD | 9009288 | Cmcm (63) | ✔ | 14 | 112 | 1 | 1.8445 | 1.845 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2ZnSb2 | COD | 4315626 | Ibam (72) | ✔ | 10 | 84 | 1 | 0.0964 | 0.317 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KCdF3 | COD | 1530090 | Pnma (62) | ✔ | 20 | 168 | 3 | 3.3039 | 3.304 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K4ZnP2 | ICSD | 67261 | R-3m (166) | ✔ | 7 | 58 | 1 | 0.952 | 1.023 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsFeCl3 | ICSD | 300249 | P6_3/mmc (194) | ✔ | 10 | 76 | 1 | 0.0943 | 0.094 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsYZnTe3 | COD | 4312038 | Cmcm (63) | ✔ | 12 | 100 | 1 | 1.1521 | 1.152 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2Li2TiO4 | ICSD | 33810 | P-1 (2) | ✔ | 18 | 120 | 2 | 4.2643 | 4.371 | 0.000 | (0;000) | ✗ | 02/02/17 |
| YCuS2 | COD | 1526830 | Pnma (62) | ✔ | 16 | 136 | 3 | 1.7825 | 1.837 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgInBr3 | ICSD | 402533 | Pnma (62) | ✔ | 20 | 176 | 3 | 1.8247 | 2.328 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BiI | COD | 1528276 | C2/m (12) | ✔ | 8 | 88 | 1 | 0.1394 | 0.155 | 0.000 | (0;001) | ✗ | 02/02/17 |
| Ba4Na(SbO4)3 | COD | 2001366 | Im-3m (229) | ✔ | 20 | 136 | 3 | 1.8829 | 1.962 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbPb2Br5 | COD | 1010211 | I4/mcm (140) | ✔ | 16 | 144 | 2 | 2.4547 | 2.566 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsSbS2 | COD | 1530125 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 1.8455 | 2.003 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgSe2 | ICSD | 642815 | Pa3 (205) | ✔ | 12 | 88 | 3 | 1.5797 | 1.703 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2InO3F | ICSD | 81876 | P4/nmm (129) | ✔ | 14 | 116 | 1 | 2.2156 | 2.759 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KCO3 | COD | 9010971 | P2_1/c (14) | ✔ | 20 | 124 | 1 | 0.5021 | 0.560 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca2NiOsO6 | ICSD | 152444 | P2_1/c (14) | ✔ | 20 | 164 | 3 | 0.0359 | 0.078 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PdI2 | ICSD | 25120 | P2_1/c (14) | ✔ | 12 | 128 | 2 | 0.7254 | 0.743 | 0.000 | (0;000) | ✗ | 02/02/17 |
| In6WO12 | COD | 1001180 | R-3 (148) | ✔ | 19 | 164 | 3 | 2.2144 | 2.226 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Al2ZnS4 | COD | 2310489 | Fd-3m (227) | ✔ | 14 | 84 | 3 | 2.1345 | 2.135 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Tl2Hg3Se4 | COD | 4000818 | C2/c (15) | ✔ | 18 | 172 | 3 | 1.0186 | 1.019 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr(AlSe2)2 | ICSD | 609319 | Cccm (66) | ✔ | 14 | 80 | 1 | 3.0219 | 3.024 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K2NbCuS4 | ICSD | 402422 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.0085 | 2.170 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2Al2Sb2O7 | ICSD | 154360 | P-3m1 (164) | ✔ | 13 | 76 | 1 | 3.5646 | 3.690 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Nb2Tl5S4Br9 | ICSD | 418796 | Immm (71) | ✔ | 20 | 178 | 2 | 1.627 | 1.638 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PbI2 | COD | 1011333 | P-3m1 (164) | ✔ | 3 | 28 | 2 | 1.1015 | 2.099 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Si(AgO)4 | COD | 1509889 | P4_2/n (86) | ✔ | 18 | 144 | 3 | 0.7549 | 1.117 | 0.000 | (0;000) | ✗ | 30/01/17 |
| AuCl3 | COD | 2310075 | P2_1/c (14) | ✔ | 16 | 128 | 1 | 1.314 | 1.408 | 0.000 | (0;000) | ✗ | 30/01/17 |
| LiBC2(O2F)2 | ICSD | 185384 | Cmcm (63) | ✔ | 20 | 104 | 1 | 3.7651 | 3.918 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sb2AsS2 | COD | 9001702 | C2/m (12) | ✔ | 10 | 54 | 3 | 0.1714 | 0.253 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ba3V2O8 | COD | 4305862 | R-3m (166) | ✔ | 13 | 104 | 1 | 3.6786 | 3.872 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ni(NF7)2 | ICSD | 26397 | I4/m (87) | ✔ | 17 | 118 | 1 | 1.8711 | 1.877 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PtCl2 | ICSD | 28527 | R-3m (166) | ✔ | 18 | 144 | 2 | 0.6796 | 0.680 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cl2O7 | ICSD | 63680 | C2/c (15) | ✔ | 18 | 112 | 1 | 4.2757 | 4.354 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Nb(SBr)2 | ICSD | 424414 | C2/m (12) | ✔ | 10 | 78 | 2 | 1.3148 | 1.325 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GeBr4 | COD | 8102926 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 3.0218 | 3.068 | 0.000 | (0;000) | ✗ | 02/02/17 |
| YTlTe2 | ICSD | 653098 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.5801 | 1.161 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2Ag2GeS4 | ICSD | 237456 | C2/c (15) | ✔ | 18 | 136 | 1 | 2.0937 | 2.162 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BaSnS2 | ICSD | 2587 | P2_1/c (14) | ✔ | 16 | 144 | 1 | 1.7505 | 1.836 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaZnSO | ICSD | 245309 | P6_3mc (186) | ✗ | 8 | 68 | 1 | 2.7339 | 2.734 | 0.000 | (0;000) | ✗ | 15/02/17 |
| IrBr3 | COD | 1527188 | C2/m (12) | ✔ | 8 | 76 | 2 | 1.389 | 1.433 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2NiBi2 | ICSD | 658704 | Cmcm (63) | ✔ | 10 | 116 | 3 | 0.3142 | 0.314 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BBr3 | COD | 1511460 | P6_3/m (176) | ✔ | 8 | 48 | 1 | 3.5808 | 3.886 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsK(ClO4)2 | ICSD | 22504 | R-3m (166) | ✔ | 12 | 80 | 1 | 6.1528 | 6.157 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H6Pt(NO)4 | ICSD | 420292 | C2 (5) | ✗ | 15 | 60 | 1 | 2.1195 | 2.120 | 0.000 | (0;000) | ✗ | 15/02/17 |
| PbICl | ICSD | 22137 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.9909 | 2.048 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AlF3 | COD | 1010414 | P321 (150) | ✗ | 12 | 72 | 2 | 0.6871 | 0.806 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K2Sn(AsS3)2 | COD | 4318214 | P-3 (147) | ✔ | 11 | 78 | 1 | 1.1045 | 1.369 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K3ClO | ICSD | 78891 | Pnma (62) | ✔ | 20 | 160 | 1 | 1.1192 | 1.119 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaPS3 | ICSD | 426906 | P2_1/m (11) | ✔ | 20 | 128 | 1 | 2.0626 | 2.123 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AsCl5 | ICSD | 412103 | Pmmn (59) | ✔ | 12 | 80 | 1 | 1.5429 | 1.543 | 0.000 | (0;000) | ✗ | 30/01/17 |
| NbSeBr3 | ICSD | 75362 | P2/c (13) | ✔ | 20 | 160 | 1 | 0.6371 | 0.769 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AsSeI | COD | 1530126 | P2_1/c (14) | ✔ | 12 | 72 | 2 | 1.2995 | 1.425 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ba2LiReN4 | ICSD | 411453 | P2_1/m (11) | ✔ | 16 | 116 | 1 | 1.9097 | 1.910 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2InClO3 | ICSD | 81877 | P4/nmm (129) | ✔ | 14 | 116 | 1 | 2.1009 | 2.590 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2SnCl6 | COD | 1010228 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 2.8166 | 2.817 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlI | COD | 9008981 | Cmcm (63) | ✔ | 4 | 40 | 2 | 1.4934 | 1.671 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ba3Ir(CN)3 | ICSD | 424762 | P6_3/m (176) | ✔ | 20 | 148 | 1 | 0.6652 | 1.246 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsNaTe | ICSD | 405538 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.9586 | 2.076 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlAuCl4 | COD | 2018865 | C2/c (15) | ✔ | 12 | 104 | 1 | 1.7994 | 1.820 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Cd2As3I | COD | 9011252 | C2/c (15) | ✔ | 12 | 92 | 3 | 0.8572 | 1.134 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ba3SrTa2O9 | ICSD | 27496 | P-3m1 (164) | ✔ | 15 | 120 | 3 | 2.018 | 2.069 | 0.000 | (0;000) | ✗ | 02/02/17 |
| As2O3 | COD | 4506960 | P2_1/c (14) | ✔ | 20 | 112 | 2 | 3.4753 | 3.656 | 0.000 | (0;000) | ✗ | 30/01/17 |
| TlBS3 | COD | 1511322 | P2_1/c (14) | ✔ | 20 | 136 | 1 | 1.5675 | 1.727 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KH3C2O3 | ICSD | 77115 | P-1 (2) | ✔ | 18 | 76 | 1 | 5.372 | 5.405 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2PSe5 | ICSD | 418434 | P-1 (2) | ✔ | 16 | 106 | 1 | 1.52 | 1.622 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KClO3 | COD | 2310654 | Pnma (62) | ✔ | 20 | 136 | 1 | 3.1985 | 3.200 | 0.000 | (0;000) | ✗ | 02/02/17 |
| B2AsCl2 | ICSD | 80153 | P-1 (2) | ✔ | 20 | 100 | 2 | 3.294 | 3.350 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K2NaGaAs2 | ICSD | 300129 | Ibam (72) | ✔ | 12 | 100 | 1 | 0.8897 | 0.890 | 0.000 | (0;000) | ✗ | 30/01/17 |
| KPAuSe3 | ICSD | 165322 | C2/m (12) | ✔ | 12 | 86 | 1 | 1.0257 | 1.089 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnS2 | ICSD | 651447 | Pa3 (205) | ✔ | 12 | 96 | 3 | 1.2446 | 1.288 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2CuAs | ICSD | 43936 | Cmcm (63) | ✔ | 8 | 68 | 1 | 1.1211 | 1.224 | 0.000 | (0;000) | ✗ | 30/01/17 |
| SnSe2 | ICSD | 43857 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 0.6943 | 1.066 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2PdCl4 | COD | 1010315 | P4/mmm (123) | ✔ | 7 | 64 | 1 | 1.5312 | 1.531 | 0.000 | (0;000) | ✗ | 02/02/17 |
| VBiPbO5 | ICSD | 419122 | C2/m (12) | ✔ | 16 | 144 | 3 | 1.9715 | 2.258 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3Sb2Au3 | COD | 1510504 | R-3m (166) | ✔ | 8 | 70 | 2 | 0.7493 | 0.749 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CsCdAuS2 | ICSD | 85581 | Cmme (67) | ✔ | 10 | 88 | 2 | 2.1236 | 2.236 | 0.000 | (0;000) | ✗ | 30/01/17 |