Download Dataset XYZ file

Name Zeo-1_SD_2022
Extended ID Zeo-1_SD_2022_KomissarovVerstraelen__DS_9in0wrvt6qg2_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
DOI 10.60732/7eb1fefb

Cite as: Komissarov, L., and Verstraelen, T. "Zeo-1 SD 2022." ColabFit, 2023.
For other citation formats, see the DataCite Fabrica page for this dataset.
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
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects Too many to display
ColabFit ID DS_9in0wrvt6qg2_0
Files colabfitspec.json

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