Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▴ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sc2CdSe4 | ICSD | 620411 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.2863 | 0.286 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdSe2 | ICSD | 620416 | Pa3 (205) | ✔ | 12 | 96 | 3 | 0.4947 | 0.650 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Y2CdSe4 | ICSD | 620457 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.4534 | 0.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CF2 | ICSD | 151184 | P-1 (2) | ✔ | 18 | 108 | 1 | 5.2396 | 5.308 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CIF2 | COD | 7200677 | P2_1/c (14) | ✔ | 16 | 100 | 1 | 3.1528 | 3.212 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CIF3 | ICSD | 73268 | Cmce (64) | ✔ | 20 | 128 | 1 | 3.7955 | 3.808 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CS2NF5 | ICSD | 413754 | P-1 (2) | ✔ | 18 | 112 | 1 | 3.4262 | 3.430 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3CO3F | ICSD | 66028 | R-3c (167) | ✔ | 16 | 112 | 1 | 3.9679 | 3.968 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SnCSNF | ICSD | 2418 | Pnma (62) | ✔ | 20 | 144 | 2 | 2.7795 | 3.124 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb3CO3F | ICSD | 66029 | R-3c (167) | ✔ | 16 | 112 | 1 | 3.5487 | 3.549 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl3CO3F | ICSD | 2515 | P2_1/m (11) | ✔ | 16 | 136 | 3 | 2.157 | 2.424 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ge3Mo5C | ICSD | 42922 | P6_3/mcm (193) | ✔ | 18 | 172 | 3 | 0.0 | 0.002 | 0.844 | (0;000) | ✗ | 02/02/17 |
| Y5Ge3C | ICSD | 617982 | P6_3/mcm (193) | ✔ | 18 | 142 | 3 | 0.0 | 0.000 | 0.603 | (0;000) | ✗ | 02/02/17 |
| KAlH2CO5 | ICSD | 153303 | Cmcm (63) | ✔ | 20 | 96 | 2 | 4.9809 | 4.988 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BH2CO | ICSD | 9561 | C2/c (15) | ✔ | 20 | 60 | 1 | 1.1303 | 1.130 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H2CBr2 | COD | 2100676 | C2/c (15) | ✔ | 20 | 80 | 1 | 4.1172 | 4.203 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H2CCl2 | COD | 2100015 | Pbcn (60) | ✔ | 20 | 80 | 1 | 5.0549 | 5.126 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaH3CN4O | ICSD | 15874 | Pmma (51) | ✔ | 20 | 84 | 1 | 4.9832 | 4.985 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AgH4CN4 | COD | 2203531 | P-1 (2) | ✔ | 20 | 78 | 3 | 2.7572 | 3.110 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HCCl2 | COD | 7106717 | P2_1/c (14) | ✔ | 16 | 76 | 1 | 5.0857 | 5.162 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HCCl3 | COD | 7211802 | Pnma (62) | ✔ | 20 | 104 | 1 | 4.814 | 4.817 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsHCO2 | ICSD | 172202 | Pbcm (57) | ✔ | 20 | 104 | 1 | 4.4038 | 4.408 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HgCN2 | ICSD | 412278 | P2_1/c (14) | ✔ | 16 | 104 | 3 | 1.849 | 1.890 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaHCN2 | ICSD | 2495 | Pbcm (57) | ✔ | 20 | 96 | 1 | 4.265 | 4.266 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HCO2 | COD | 5900034 | P2_1/c (14) | ✔ | 16 | 68 | 1 | 0.0 | 0.011 | 0.058 | (1;010) | ✗ | 02/02/17 |
| RbHCO2 | ICSD | 172203 | Pbcm (57) | ✔ | 20 | 104 | 1 | 4.5929 | 4.593 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlHCO2 | ICSD | 110364 | Pnna (52) | ✔ | 20 | 120 | 1 | 3.0824 | 3.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HC | COD | 2100841 | Pa3 (205) | ✔ | 16 | 40 | 1 | 5.684 | 5.704 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zr6CI12 | ICSD | 60918 | R-3 (148) | ✔ | 19 | 112 | 3 | 0.2079 | 0.289 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PtCI2O | ICSD | 68098 | C2/c (15) | ✔ | 20 | 136 | 2 | 1.6393 | 1.719 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KCSeN | ICSD | 23951 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 2.9858 | 2.986 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KCO2 | COD | 4313233 | Pbam (55) | ✔ | 16 | 100 | 1 | 2.8207 | 2.821 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KCO3 | COD | 9010292 | P2_1/c (14) | ✔ | 20 | 124 | 1 | 0.4508 | 0.493 | 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 |
| KC | COD | 1521141 | I4_1/acd (142) | ✔ | 16 | 104 | 1 | 3.3837 | 3.412 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K4Re2Cl10O | ICSD | 108904 | I4/mmm (139) | ✔ | 17 | 142 | 1 | 0.0 | 0.168 | 0.479 | (0;000) | ✗ | 02/02/17 |
| K4Ru2Cl10O | ICSD | 8054 | I4/mmm (139) | ✔ | 17 | 144 | 1 | 0.4691 | 0.477 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Nb2Te4Cl10O | ICSD | 49920 | P-1 (2) | ✔ | 17 | 126 | 2 | 1.1278 | 1.256 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsHg5Cl11 | ICSD | 39767 | C2/m (12) | ✔ | 17 | 146 | 3 | 2.8247 | 2.946 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlHg5Cl11 | COD | 7221334 | C2/m (12) | ✔ | 17 | 150 | 3 | 2.8327 | 3.194 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sc7CoCl12 | ICSD | 424476 | R-3 (148) | ✔ | 20 | 178 | 3 | 0.1088 | 0.149 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sc7NCl12 | ICSD | 201976 | R-3 (148) | ✔ | 20 | 166 | 3 | 0.0 | 0.037 | 0.019 | (1;111) | ✗ | 02/02/17 |
| Os(SCl6)2 | ICSD | 74680 | R-3m (166) | ✔ | 15 | 112 | 1 | 0.386 | 0.445 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Te2OsCl12 | ICSD | 74682 | P-1 (2) | ✔ | 15 | 112 | 1 | 0.0 | 0.018 | 0.121 | (1;001) | ✗ | 02/02/17 |
| Co2TeCl2O3 | ICSD | 415798 | P2_1/m (11) | ✔ | 16 | 144 | 3 | 0.0 | 0.005 | 0.622 | (1;011) | ✗ | 02/02/17 |
| CsCu2ICl2 | ICSD | 60960 | P2_1/m (11) | ✔ | 12 | 104 | 1 | 1.9838 | 1.984 | 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 |
| CsLiCl2 | ICSD | 423634 | C2/c (15) | ✔ | 16 | 104 | 1 | 5.3881 | 5.388 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CuH4(ClO)2 | COD | 1008760 | Pmna (53) | ✔ | 18 | 82 | 1 | 0.0 | 0.000 | 0.821 | (0;000) | ✗ | 02/02/17 |
| Cu(ClO)2 | COD | 9014996 | Pmna (53) | ✔ | 10 | 74 | 2 | 0.0 | 0.000 | 0.938 | (0;000) | ✗ | 02/02/17 |