Dataset
Zeo-1_SD_2022
Download Dataset XYZ file
| Name | Zeo-1_SD_2022 |
|---|---|
| Extended ID | Zeo-1_SD_2022_KomissarovVerstraelen__DS_lqbm3jy2t7cf_0 |
| Description | 130,000 configurations of zeolite from the Database of Zeolite Structures. Calculations performed using Amsterdam Modeling Suite software. |
| Authors |
Leonid Komissarov Toon Verstraelen |
| Elements |
O (65.32%) Si (31.16%) Al (0.4%) H (1.97%) N (0.06%) C (0.06%) Ge (0.69%) F (0.01%) Ca (0.07%) Li (0.01%) Na (0.12%) Be (0.02%) Ba (0.01%) Cs (0.02%) K (0.09%) |
| Number of Data Objects | 12,930 |
| Number of Configurations | 12,930 |
| Number of Atoms | 1,841,742 |
| Links |
https://doi.org/10.24435/materialscloud:cv-zd https://doi.org/10.1038/s41597-022-01160-5 |
| Configuration Sets by Name | (None) |
| Configuration Sets by ID | (None) |
| Data Objects | Too many to display |
| ColabFit ID | DS_lqbm3jy2t7cf_0 |
| Files | colabfitspec.json |
No uploaded content is transferred in ownership from the original creators to ColabFit. All content is distributed under the license specified by its contributor who has stated that he or she has the authority to share it under the specified license.