Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| K3IO | ICSD | 36512 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 1.1333 | 1.133 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BiI3 | ICSD | 78791 | R-3 (148) | ✔ | 8 | 72 | 2 | 1.2702 | 1.298 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlCdI3 | ICSD | 8009 | Pnma (62) | ✔ | 20 | 184 | 2 | 1.8407 | 1.934 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2S | COD | 1525329 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.4068 | 2.446 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KBa4Sb3O | ICSD | 410747 | I4/mcm (140) | ✔ | 18 | 140 | 1 | 0.9969 | 1.041 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GaHCl2 | COD | 4318449 | C2/c (15) | ✔ | 16 | 112 | 1 | 5.062 | 5.206 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrTe | COD | 9008730 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.153 | 1.986 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2Ag4S3 | COD | 1509882 | C2/m (12) | ✔ | 18 | 160 | 1 | 0.17 | 0.170 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ba(TeO3)2 | ICSD | 8017 | Cmcm (63) | ✔ | 18 | 116 | 2 | 2.1918 | 2.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr(ClO2)2 | COD | 2207380 | Ccce (68) | ✔ | 14 | 96 | 1 | 2.3827 | 2.464 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba(InTe2)2 | ICSD | 41168 | Cccm (66) | ✔ | 14 | 120 | 1 | 0.7434 | 1.163 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PbCSNCl | ICSD | 409835 | Pnma (62) | ✔ | 20 | 144 | 2 | 2.4437 | 2.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiCaAlF6 | COD | 9012618 | P-31c (163) | ✔ | 18 | 116 | 1 | 7.9393 | 7.963 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Rb2Pt3S4 | ICSD | 26267 | Fmmm (69) | ✔ | 9 | 72 | 1 | 0.9917 | 1.169 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2TiSiO5 | COD | 9011189 | P4/nmm (129) | ✔ | 18 | 128 | 2 | 3.217 | 3.424 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KTeP2 | COD | 4105329 | P2_1/m (11) | ✔ | 16 | 100 | 1 | 1.0863 | 1.302 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr(InTe2)2 | ICSD | 41167 | Cccm (66) | ✔ | 14 | 120 | 2 | 0.6006 | 1.136 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaBrCl | ICSD | 35458 | Pnma (62) | ✔ | 12 | 96 | 1 | 4.6167 | 4.617 | 0.000 | (0;000) | ✗ | 02/02/17 |
| As2S3 | COD | 9012091 | P2_1/c (14) | ✔ | 20 | 112 | 2 | 1.5014 | 1.906 | 0.000 | (0;000) | ✗ | 30/01/17 |
| YAsS | ICSD | 611344 | P2_1/c (14) | ✔ | 12 | 88 | 3 | 0.157 | 0.176 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ba2I2O | ICSD | 391434 | Ibam (72) | ✔ | 10 | 80 | 1 | 2.7672 | 2.976 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiH3IN | ICSD | 55064 | P2_1 (4) | ✗ | 12 | 36 | 1 | 3.8239 | 3.825 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ScSbPt | ICSD | 77948 | F-43m (216) | ✗ | 3 | 26 | 3 | 0.5411 | 0.771 | 0.000 | (0;000) | ✗ | 15/02/17 |
| VS2N3Cl2 | ICSD | 61351 | P-1 (2) | ✔ | 16 | 108 | 1 | 0.731 | 0.758 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KCu3Te2 | COD | 1525201 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.3579 | 0.358 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaMg(SiO3)2 | COD | 1011057 | C2/c (15) | ✔ | 20 | 128 | 3 | 5.0012 | 5.001 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsBeH3 | COD | 4343938 | P2_1/m (11) | ✔ | 10 | 32 | 1 | 3.2267 | 3.555 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScAg(PS3)2 | ICSD | 63273 | P-31c (163) | ✔ | 20 | 136 | 2 | 1.9499 | 1.955 | 0.000 | (0;000) | ✗ | 30/01/17 |
| SnSe | COD | 9008296 | Cmcm (63) | ✔ | 4 | 40 | 2 | 0.2641 | 0.265 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba(GaAs)2 | COD | 4316405 | P2_1/c (14) | ✔ | 20 | 184 | 1 | 1.3257 | 1.368 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K2Sn2S5 | ICSD | 72378 | C2/c (15) | ✔ | 18 | 152 | 3 | 1.6448 | 1.893 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbI3(BrCl3)2 | ICSD | 26404 | P-1 (2) | ✔ | 12 | 82 | 1 | 1.0807 | 1.099 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsTa(PO4)2 | ICSD | 20726 | P-1 (2) | ✔ | 12 | 80 | 2 | 3.5265 | 3.612 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsLiF2 | COD | 4343820 | C2/c (15) | ✔ | 16 | 104 | 3 | 6.5835 | 6.584 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li6Br3N | ICSD | 84092 | P2_1/c (14) | ✔ | 20 | 88 | 1 | 2.3159 | 2.316 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2SbAu | ICSD | 380340 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.863 | 0.965 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbCdBr3 | ICSD | 808 | Pnma (62) | ✔ | 20 | 168 | 1 | 2.8691 | 2.929 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2SnAs2 | COD | 1008521 | Ibam (72) | ✔ | 10 | 84 | 1 | 0.825 | 1.092 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ba3In2Cl2O5 | COD | 2002522 | I4/mmm (139) | ✔ | 12 | 100 | 2 | 1.6797 | 2.375 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2NbAgS4 | ICSD | 50463 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.2234 | 2.266 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BiBO3 | COD | 7209481 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 2.9857 | 2.986 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cd2B2O5 | COD | 2202291 | P-1 (2) | ✔ | 18 | 120 | 3 | 2.687 | 2.709 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScAg(PSe3)2 | ICSD | 420302 | P-31c (163) | ✔ | 20 | 136 | 2 | 1.5236 | 1.578 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K2MgCr2(H2O5)2 | ICSD | 96781 | P-1 (2) | ✔ | 19 | 120 | 2 | 2.9615 | 2.991 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InAg(PS3)2 | COD | 1000229 | P-31c (163) | ✔ | 20 | 140 | 2 | 1.1317 | 1.352 | 0.000 | (0;000) | ✗ | 30/01/17 |
| RbI | ICSD | 61523 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 3.0742 | 3.078 | 0.000 | (0;000) | ✗ | 30/01/17 |
| RbLiO | ICSD | 65170 | Pnma (62) | ✔ | 12 | 72 | 1 | 2.4363 | 2.466 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KSnSO4F | ICSD | 94532 | P-1 (2) | ✔ | 16 | 120 | 1 | 3.9195 | 4.046 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2NiP2 | ICSD | 300119 | Cmcm (63) | ✔ | 10 | 76 | 1 | 0.6435 | 0.658 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbCa2Ta3O10 | ICSD | 89010 | P4/mmm (123) | ✔ | 16 | 128 | 2 | 2.141 | 2.351 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsYZnSe3 | COD | 4317677 | Cmcm (63) | ✔ | 12 | 100 | 1 | 2.0743 | 2.093 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgGeO3 | COD | 9000961 | C2/c (15) | ✔ | 20 | 128 | 3 | 2.9465 | 3.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr3(SiAs2)2 | COD | 1528461 | C2/c (15) | ✔ | 18 | 116 | 1 | 0.8782 | 0.878 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CrHg(PbO3)2 | COD | 2012488 | P-1 (2) | ✔ | 20 | 180 | 3 | 2.1127 | 2.113 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaCdO2 | ICSD | 25555 | Pnma (62) | ✔ | 16 | 136 | 3 | 1.0459 | 1.070 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaFeF3 | ICSD | 68981 | Pnma (62) | ✔ | 20 | 152 | 3 | 0.2762 | 0.277 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiH2BrO | ICSD | 391154 | Cmcm (63) | ✔ | 20 | 72 | 1 | 4.4428 | 4.473 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KH4F5 | COD | 1532621 | I4_1/a (88) | ✔ | 20 | 96 | 1 | 5.6134 | 5.613 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba5Sb4 | COD | 2008660 | Cmce (64) | ✔ | 18 | 140 | 1 | 0.2358 | 0.564 | 0.000 | (0;000) | ✗ | 02/02/17 |
| As2Se3 | COD | 9011471 | P2_1/c (14) | ✔ | 20 | 112 | 2 | 1.2699 | 1.470 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Cs2As2Pd | ICSD | 69647 | Cmcm (63) | ✔ | 10 | 92 | 1 | 0.8383 | 0.933 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BaGaH5 | ICSD | 240693 | P2_1 (4) | ✗ | 14 | 56 | 1 | 3.2526 | 3.526 | 0.000 | (0;000) | ✗ | 15/02/17 |
| RbI | COD | 9009738 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.5916 | 3.592 | 0.000 | (0;000) | ✗ | 30/01/17 |
| RbCuTe | COD | 4124306 | Pnma (62) | ✔ | 12 | 104 | 2 | 0.6184 | 0.618 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsReF8 | ICSD | 410829 | P4/nmm (129) | ✔ | 20 | 160 | 1 | 2.0109 | 2.046 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2SiAs2 | ICSD | 60617 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.0031 | 1.379 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K2VCuSe4 | ICSD | 84303 | Fddd (70) | ✔ | 16 | 132 | 1 | 0.9604 | 1.170 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba(IO3)2 | ICSD | 23276 | C2/c (15) | ✔ | 18 | 120 | 1 | 3.775 | 3.843 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HfI4 | ICSD | 200826 | C2/c (15) | ✔ | 20 | 160 | 2 | 1.8004 | 1.800 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2PbO2 | ICSD | 2266 | P-1 (2) | ✔ | 20 | 176 | 1 | 1.8725 | 1.873 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsPb2Cl5 | COD | 4302867 | I4/mcm (140) | ✔ | 16 | 144 | 2 | 3.12 | 3.294 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdI2 | ICSD | 9190 | P-3m1 (164) | ✔ | 12 | 104 | 1 | 1.9523 | 2.170 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaPbO3 | ICSD | 87825 | Pnma (62) | ✔ | 20 | 168 | 3 | 1.0162 | 1.016 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba(GaP)2 | COD | 4316404 | P2_1/c (14) | ✔ | 20 | 184 | 1 | 1.428 | 1.428 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ag2MoO4 | COD | 7222296 | Fd-3m (227) | ✔ | 14 | 120 | 3 | 2.0383 | 2.038 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Si2Hg6O7 | COD | 9001301 | C2/m (12) | ✔ | 15 | 122 | 3 | 1.5831 | 1.837 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CBrF2 | COD | 7200672 | P2_1/c (14) | ✔ | 16 | 100 | 1 | 4.3722 | 4.447 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KTl(CN)4 | COD | 4308988 | I4_1/a (88) | ✔ | 20 | 116 | 1 | 5.7854 | 5.883 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Hg2P3Cl | ICSD | 74771 | C2/c (15) | ✔ | 12 | 92 | 3 | 1.102 | 1.651 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SnPbF4 | ICSD | 152955 | P4/nmm (129) | ✔ | 12 | 112 | 1 | 3.3685 | 3.500 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2ZrO3 | ICSD | 67345 | Cmcm (63) | ✔ | 12 | 80 | 2 | 3.7167 | 3.717 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsSb2F7 | COD | 4343796 | C2/c (15) | ✔ | 20 | 136 | 1 | 4.3589 | 4.409 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2Al2Sb2O7 | ICSD | 154361 | P-3m1 (164) | ✔ | 13 | 76 | 2 | 3.6116 | 3.668 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Na3YCl6 | COD | 9007973 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 5.2619 | 5.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2SiP2 | ICSD | 36367 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.2106 | 1.784 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbCaSb | ICSD | 409178 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.5422 | 1.607 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KPt2Se3 | ICSD | 69438 | R-3m (166) | ✔ | 12 | 94 | 2 | 0.768 | 0.768 | 0.000 | (0;000) | ✗ | 02/02/17 |
| B2O3 | COD | 2105403 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 8.6954 | 8.982 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Cs2KYF6 | ICSD | 155977 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 6.8517 | 6.852 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NClO6 | ICSD | 25817 | C2/c (15) | ✔ | 16 | 96 | 1 | 2.1258 | 2.155 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H5C3BrN | COD | 7101076 | P-1 (2) | ✔ | 20 | 58 | 1 | 2.9198 | 2.977 | 0.000 | (0;000) | ✗ | 02/02/17 |
| VOF3 | COD | 4339753 | P2_1/c (14) | ✔ | 20 | 160 | 2 | 3.4086 | 3.433 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ga2I3 | ICSD | 24822 | P2_1/c (14) | ✔ | 20 | 188 | 1 | 2.2613 | 2.288 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl3BiCl6 | ICSD | 421317 | P4_2/m (84) | ✔ | 20 | 192 | 1 | 2.1717 | 2.297 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2NaAlAs2 | ICSD | 73280 | Ibam (72) | ✔ | 12 | 80 | 1 | 1.1444 | 1.304 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Cs3Sb2I9 | COD | 1520793 | P-3m1 (164) | ✔ | 14 | 100 | 2 | 1.2671 | 1.279 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaZn(GeO3)2 | COD | 2014615 | C2/c (15) | ✔ | 20 | 132 | 3 | 2.8081 | 2.912 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsHIF7 | ICSD | 71581 | P-1 (2) | ✔ | 20 | 132 | 1 | 4.706 | 4.783 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CuH6BrN2 | COD | 7104068 | C2/c (15) | ✔ | 20 | 68 | 1 | 2.3525 | 2.353 | 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 |