Published May 21, 2024 | Version v1
Dataset Open

DACHS/MOFs/AutoMOFs_1/Synthesis

  • 1. ROR icon Graz University of Technology
  • 2. Bundesanstalt für Materialforschung und -prüfung

Contributors

  • 1. ROR icon Federal Institute For Materials Research and Testing

Description

DACHS:

The DACHS (Database for Automation, Characterization and Holistic Synthesis) project aims to create completely traceable experimental data, covering syntheses, measurements, analyses, and interpretations.  DACHS_MOFs focuses on the synthesis and characterisation of metal-organic frameworks, across multiple, automation-assisted experimental series (AutoMOFs), with the overall goal of producing reproducible MOF samples through tracking of the synthesis parameters. 

DACHS_MOFs is simultaneously used to test the DACHS principles. 

This upload contain synthesis data from AutoMOFs_1 in HDF5 format (.h5). Each .h5 file contains detailed information on the chemical, experimenal, and synthesis parameters used during the synthesis of a single AutoMOF sample.

AutoMOFs_1

What: 13 samples (M000 - M012)

Why: Initial systems testing, consistency/repeatability 

When:  08/02/2022

Sample Naming

Sample denoted as "M" are synthesised by injecting the metal solution (Solution0) first (e.g. "metal first")

How to view the files:

To open files, any HDF5 compatable viewer should work (e.g. DAWN, HDF view, H5Web etc).  It is also possible to view files in Python using the h5py library. Jupyter notebooks will also be made available to explore the files.

File structure:

Detailed synthesis descriptions can be found for each sample within each file, and are stored in /DACHS/Synthesis/Description

Experimetal set-up are stored in /DACHS/Synthesis/Description

Chemicals, including starting compounds, mixtures, and (potential-, target- and final) products are given in the /DACHS/Chemicals

Parameters that might be of interest to the synthesis are stored in /DACHS/Synthesis/DerivedParameters

Additional notes on samples/oddities arrising from their synthesis are stored in /DACHS/Synthesis/DerivedParameters/Note

File storage:

To maintain compatability with scripts uploadedd to the DACHS community, data from this upload should be stored locally in the following file path: 

DACHS/MOFs/AutoMOFs_1/Synthesis

Files

DACHS.zip

Files (1.3 MB)

Name Size Download all
md5:d7d2df8f5ba98bd288597f228aab66aa
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Additional details

Dates

Available
2024