Configuration Set
doped_CsPbI3_energetics_train_validate_black_band_gap__CS_45zk5jn9d0n9_0
| Name | doped_CsPbI3_energetics_train_validate_black_band_gap |
|---|---|
| Extended ID | doped_CsPbI3_energetics_train_validate_black_band_gap__CS_45zk5jn9d0n9_0 |
| Description | Configurations of CsPbI3 from doped_CsPbI3_energetics_train_validate dataset with black (direct) band gap phase |
| Elements |
Cd (0.77%) Cs (20.0%) I (60.0%) Pb (18.46%) Zn (0.77%) |
| Number of Configurations | 69 |
| Number of Atoms | 11,040 |
| Configurations | |
| Datasets |
DS_doj9b688juif_0 |
| ColabFit ID | CS_45zk5jn9d0n9_0 |
| Files | colabfitspec.json |
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