Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| K4CdAs2 | COD | 1008853 | R-3m (166) | ✔ | 7 | 58 | 1 | 0.6689 | 0.691 | 0.000 | (0;000) | ✗ | 30/01/17 |
| OsSe2 | COD | 9012407 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.0681 | 0.199 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2P3 | ICSD | 65185 | Fmmm (69) | ✔ | 10 | 66 | 1 | 0.8432 | 0.843 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2GeSe3 | ICSD | 415215 | C2/m (12) | ✔ | 12 | 80 | 1 | 1.7854 | 1.887 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2TeBr6 | ICSD | 65058 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.8801 | 2.124 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdPt(CN)6 | COD | 4100926 | Fm-3m (225) | ✔ | 14 | 76 | 3 | 5.4883 | 5.640 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cd2Ru(CN)6 | ICSD | 417822 | P-3 (147) | ✔ | 15 | 94 | 3 | 2.2762 | 2.276 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaC4N3 | ICSD | 31926 | P-1 (2) | ✔ | 16 | 80 | 1 | 3.6724 | 3.698 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca3N2 | ICSD | 162794 | C2/m (12) | ✔ | 15 | 120 | 1 | 1.3801 | 1.440 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2PAuS4 | ICSD | 85679 | P2_1/m (11) | ✔ | 16 | 116 | 2 | 1.308 | 1.308 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca3SnH2 | ICSD | 165615 | Cmcm (63) | ✔ | 12 | 92 | 1 | 0.133 | 0.133 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaZnF3 | ICSD | 69349 | Pnma (62) | ✔ | 20 | 168 | 3 | 3.8293 | 3.829 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbAg3S2 | ICSD | 1034 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.2691 | 0.292 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K2SiAs2 | ICSD | 40426 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.0103 | 1.409 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CsBr3 | ICSD | 22130 | Pnma (62) | ✔ | 16 | 120 | 1 | 2.1955 | 2.251 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbTeRu | ICSD | 650595 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.3289 | 0.592 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ag2HgS2 | COD | 9009717 | P2_1/c (14) | ✔ | 10 | 92 | 3 | 0.5114 | 0.511 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Sr2InSbO6 | ICSD | 154032 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 2.0189 | 2.019 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca4TiN4 | COD | 1528590 | P-1 (2) | ✔ | 18 | 144 | 1 | 1.5561 | 1.680 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsAg3S2 | COD | 1509993 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.4373 | 0.437 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BaZrF6 | ICSD | 36122 | Cmme (67) | ✔ | 16 | 112 | 1 | 6.4655 | 6.524 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2Sn2Hg3S8 | ICSD | 85598 | P-1 (2) | ✔ | 15 | 130 | 1 | 1.743 | 1.786 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na5InO4 | ICSD | 69630 | Pmmn (59) | ✔ | 20 | 164 | 1 | 1.8792 | 1.879 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ta2FeO6 | COD | 9012189 | P4_2/mnm (136) | ✔ | 18 | 140 | 3 | 0.1708 | 0.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiO2 | COD | 9006286 | Pna2_1 (33) | ✗ | 12 | 64 | 3 | 5.693 | 5.821 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TlPAuSe3 | COD | 4000517 | C2/m (12) | ✔ | 12 | 94 | 1 | 0.8936 | 1.034 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KNaTe | ICSD | 67276 | Pnma (62) | ✔ | 12 | 96 | 1 | 1.7998 | 1.800 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2ZrSe3 | ICSD | 412158 | C2/m (12) | ✔ | 12 | 80 | 2 | 1.0681 | 1.371 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2HgPdCl6 | ICSD | 36616 | I4/mmm (139) | ✔ | 10 | 90 | 2 | 1.417 | 1.502 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsLiCl2 | ICSD | 423634 | C2/c (15) | ✔ | 16 | 104 | 1 | 5.3881 | 5.388 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbVO3 | COD | 1527492 | Pbcm (57) | ✔ | 20 | 160 | 1 | 3.1717 | 3.195 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr3(AlP2)2 | ICSD | 409134 | C2/c (15) | ✔ | 18 | 112 | 2 | 1.3308 | 1.331 | 0.000 | (0;000) | ✗ | 30/01/17 |
| TlFeBr3 | ICSD | 36217 | Pnma (62) | ✔ | 20 | 168 | 1 | 0.2469 | 0.351 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlB(CN)4 | COD | 4308590 | I4_1/a (88) | ✔ | 20 | 104 | 1 | 5.027 | 5.031 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2SnBr6 | ICSD | 158956 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 1.2508 | 1.251 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K4BeP2 | ICSD | 300110 | R-3m (166) | ✔ | 7 | 50 | 1 | 1.1639 | 1.189 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KNa2AuO2 | ICSD | 61226 | Pnnm (58) | ✔ | 12 | 100 | 1 | 1.9334 | 1.963 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr3(GaAs2)2 | ICSD | 423785 | C2/c (15) | ✔ | 18 | 152 | 2 | 0.6984 | 0.809 | 0.000 | (0;000) | ✗ | 30/01/17 |
| KNO3 | COD | 9012754 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.0758 | 3.078 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Bi4RuBr2 | ICSD | 406951 | C2/m (12) | ✔ | 14 | 180 | 2 | 0.3607 | 0.457 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na6CdCl8 | ICSD | 35070 | Fm-3m (225) | ✔ | 15 | 122 | 2 | 3.4215 | 3.422 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr2Sc2B4O11 | ICSD | 86435 | P-1 (2) | ✔ | 19 | 120 | 3 | 4.5568 | 4.606 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiI | ICSD | 44781 | P6_3/mmc (194) | ✔ | 4 | 20 | 1 | 3.3576 | 3.358 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ca(InS2)2 | COD | 9012322 | Fd-3m (227) | ✔ | 14 | 120 | 3 | 2.2045 | 2.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cd(InS2)2 | COD | 9012323 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 1.4147 | 1.507 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2InBrO3 | ICSD | 81878 | P4/nmm (129) | ✔ | 14 | 116 | 2 | 2.0352 | 2.422 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiBr3 | COD | 2019711 | C2/m (12) | ✔ | 8 | 50 | 1 | 4.0947 | 4.095 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3TcC4(N2O)2 | ICSD | 260824 | P-1 (2) | ✔ | 14 | 90 | 1 | 2.2512 | 2.257 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg2BiPO6 | ICSD | 73894 | Cmcm (63) | ✔ | 20 | 152 | 3 | 3.4419 | 3.449 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Si | ICSD | 67775 | P6_3/mmc (194) | ✔ | 4 | 16 | 3 | 0.3357 | 1.061 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrPSe3 | ICSD | 412766 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 2.2293 | 2.229 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AuBr | COD | 1510610 | P4_2/ncm (138) | ✔ | 8 | 72 | 2 | 1.7201 | 1.721 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CaCl2 | ICSD | 86209 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.4831 | 2.483 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Bi4RuI2 | ICSD | 406949 | I4/m (87) | ✔ | 14 | 180 | 2 | 0.3499 | 0.409 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbNbO3 | COD | 1528862 | P-1 (2) | ✔ | 20 | 160 | 1 | 3.6791 | 3.683 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiH5C5N2O5 | COD | 2200233 | P1 (1) | ✗ | 18 | 68 | 1 | 2.9567 | 3.022 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Sc6WO12 | COD | 4001209 | R-3 (148) | ✔ | 19 | 152 | 3 | 2.3576 | 2.422 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaH2 | ICSD | 615913 | Cmcm (63) | ✔ | 6 | 24 | 1 | 1.7224 | 2.854 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl2SnCl6 | COD | 1010177 | Fm-3m (225) | ✔ | 9 | 82 | 1 | 2.9112 | 2.911 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Al2S3 | ICSD | 609250 | R-3c (167) | ✔ | 10 | 48 | 3 | 1.2918 | 1.384 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ba(PdS2)2 | ICSD | 79930 | P2_1/m (11) | ✔ | 14 | 140 | 3 | 0.8771 | 1.024 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaCO3 | COD | 9006846 | Pnma (62) | ✔ | 20 | 128 | 1 | 4.2133 | 4.219 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KBa4Bi3O | COD | 2011038 | I4/mcm (140) | ✔ | 18 | 200 | 1 | 0.5807 | 0.663 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbH2OF | ICSD | 415010 | Pnma (62) | ✔ | 20 | 96 | 1 | 5.4701 | 5.470 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PtI3 | ICSD | 47120 | C2/c (15) | ✔ | 16 | 124 | 3 | 0.302 | 0.302 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2PtCl6 | COD | 1010237 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.7119 | 1.712 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrCO3 | COD | 9008198 | Pnma (62) | ✔ | 20 | 128 | 1 | 4.4705 | 4.482 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H4C3N2Cl | COD | 2005472 | C2/m (12) | ✔ | 20 | 66 | 1 | 2.2005 | 2.250 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Hg2SO4 | COD | 1527303 | P2/c (13) | ✔ | 14 | 108 | 3 | 0.0916 | 0.361 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H4C4BrN | COD | 2003427 | C2/m (12) | ✔ | 20 | 64 | 2 | 4.0401 | 4.124 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsBrO4 | COD | 4031454 | I4_1/amd (141) | ✔ | 12 | 80 | 1 | 3.8217 | 3.822 | 0.000 | (0;000) | ✗ | 02/02/17 |
| S3(NO)2 | COD | 7221380 | C2/c (15) | ✔ | 14 | 80 | 1 | 1.5897 | 1.717 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ICl | COD | 9008992 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 1.6268 | 1.696 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr6Li2Cr2N8O | ICSD | 411983 | P-1 (2) | ✔ | 19 | 140 | 1 | 1.7419 | 1.768 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaMgF3 | COD | 9003811 | Pnma (62) | ✔ | 20 | 160 | 3 | 6.4343 | 6.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2HIO | ICSD | 74930 | Pnma (62) | ✔ | 20 | 80 | 1 | 4.1333 | 4.133 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsTe4 | ICSD | 47182 | P2_1/c (14) | ✔ | 20 | 132 | 3 | 0.4746 | 0.475 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbCaAs | ICSD | 409177 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.3437 | 1.450 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Na4I2O | COD | 9007749 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 2.299 | 2.299 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Rb2Zn3S4 | ICSD | 602243 | Ibam (72) | ✔ | 18 | 156 | 2 | 2.7396 | 2.740 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2NaAsO4 | ICSD | 36533 | P2_1/m (11) | ✔ | 16 | 112 | 1 | 4.104 | 4.122 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Cs3Bi2Br9 | COD | 2106376 | P-3m1 (164) | ✔ | 14 | 120 | 2 | 1.7199 | 1.866 | 0.000 | (0;000) | ✗ | 02/02/17 |
| I | COD | 1010091 | Cmce (64) | ✔ | 4 | 28 | 1 | 0.9685 | 1.149 | 0.000 | (0;000) | ✗ | 30/01/17 |
| ZnI2 | COD | 9009137 | R-3m (166) | ✔ | 3 | 26 | 2 | 1.1064 | 1.334 | 0.000 | (0;000) | ✗ | 30/01/17 |
| C2S3 | COD | 7006523 | P2_1/c (14) | ✔ | 20 | 104 | 1 | 1.647 | 1.649 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca2Sn | ICSD | 58935 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.1234 | 0.126 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiCdCoF6 | ICSD | 32731 | P-31c (163) | ✔ | 18 | 148 | 3 | 1.2028 | 1.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ag2SeO4 | COD | 7209359 | Fddd (70) | ✔ | 14 | 104 | 3 | 0.5429 | 0.563 | 0.000 | (0;000) | ✗ | 30/01/17 |
| P(CF3)2 | COD | 4321851 | P-1 (2) | ✔ | 18 | 110 | 1 | 4.1715 | 4.308 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2SeCl6 | COD | 1010222 | Fm-3m (225) | ✔ | 9 | 66 | 1 | 2.598 | 2.786 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaMg(CO3)2 | ICSD | 193059 | R-3m (166) | ✔ | 10 | 64 | 2 | 4.141 | 4.238 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaLiV2O6 | ICSD | 30019 | C2/c (15) | ✔ | 20 | 148 | 1 | 2.7521 | 2.821 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2SnSe3 | ICSD | 74844 | P-1 (2) | ✔ | 12 | 100 | 1 | 1.8024 | 1.802 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RuC3Br2O3 | ICSD | 48158 | C2/m (12) | ✔ | 18 | 120 | 1 | 2.0975 | 2.155 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsAgC2 | ICSD | 410873 | P4_2/mmc (131) | ✔ | 8 | 56 | 2 | 2.4888 | 2.489 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr3(AlAs2)2 | ICSD | 423787 | C2/c (15) | ✔ | 18 | 112 | 2 | 1.1469 | 1.148 | 0.000 | (0;000) | ✗ | 30/01/17 |
| KAuI3 | COD | 7209388 | P2_1/c (14) | ✔ | 20 | 164 | 2 | 0.6758 | 0.676 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaCa2IO6 | ICSD | 425448 | P2_1/c (14) | ✔ | 20 | 144 | 1 | 2.4371 | 2.611 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BiPPbO5 | ICSD | 419125 | P-1 (2) | ✔ | 16 | 128 | 3 | 1.6308 | 1.743 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrCaGe | COD | 1528698 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.414 | 0.433 | 0.000 | (0;000) | ✗ | 02/02/17 |