Table 3 Chemical formulas, COD IDs, space groups and band gaps for the chosen 3D twofold self-penetrating structures.
From: Determining dimensionalities and multiplicities of crystal nets
Formula | COD ID | Space group | Band gap (eV) |
|---|---|---|---|
Cu2O | 9007497 | Pn − 3m | 0.5 |
Pb2O | 1010382 | Pn − 3m | 0 |
Ag2O | 4318188 | Pn − 3m | 0 |
Au2S | 1510461 | Pn − 3m | 2.0 |
CaC2 | 9014958 | Pn − 3m | 1.8 |
SiC2N4 | 1526364 | Pn − 3m | 4.2 |
Fe4N | 9004225 | P − 43m | 0 |
Zn(CN)2 | 4124708 | P − 43m | 5.9 |
LiB(CN)4 | 4308584 | P − 43m | 6.3 |
CuB(CN)4 | 4308583 | P − 43m | 3.2 |
ZnPd(CN)4 | 7211957 | P42/mcm | 4.2 |
ZnPt(CN)4 | 7211958 | P42/mcm | 4.0 |
ZnNi(CN)4 | 7211956 | P42/mcm | 3.1 |
AgAu(CN)4 | 4345897 | P2/c | 2.8 |
LiN4C6 | 4121263 | P2/c | 0 |
Ag3BO3 | 1509905 | R32 | 0 |
