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Area A: materials synthesis and processing

About this repo

It is a collection of example custom schemas shaped on the needs of different users.

The schemas here implemented adapt to the NOMAD data structure: the hierarchy is composed by instances of Sections, Subsections and Quantities (data fields).

The users can follow the info in this repo to build their own schema for their experiment 👍.

Further explanations on NOMAD are availbale in the official documentation page

Each folder contains several kind of files, the user can try to drag and drop all of them in the upload page in Nomad, they will be automatically parsed to create "Entries" containing the experimental data in a structured fashion:

  • schema file: it is a NOMAD archive file (.archive.yaml extension) containing only one section called "definitions". It defines the structure that will host your data. Sections, subsections and quantities are the elements that compose the hierarchical structure of data.
  • test datasets: depending on the experiment, the user will have one or more files where the logged parameters and metadata are stored. The data set files have .png, .tif, .txt., .dat, .csv or .xlsx extension.

Some folders contain Python packages that are referred as PLUGINS.

Check the README in each subdirectory for more info.

Basesections Hierarchy

The tree visualizations represent the inheritance structure of our data model. This structure is in continuous development and may quickly change from week to week.

For suggestions and contributes please refer to the issues opened in this repo.

See the NOMAD source code contains the set of base sections developed so far. Few more repo are used to collect general classes shared among different use cases: nomad-measurements, nomad-material-processing.

We are developing a more verbose documentation to describe the basesections contained in each of the examples in this repo.


Use Cases Summary

Category Use Case Institute Code Type folder path
Crystal Growth Float Zone IKZ YAML Schema float_zone_IKZ
Crystal Growth Float Zone float_zone_CPFS-Dresden
Crystal Growth Flux growth flux_growth_CPFS-Dresden
Crystal Growth Melt Czochralski IKZ Plugin czochralski
Crystal Growth Melt Czochralski melt_czochralski_Dropka
Sinterization Oxide Powder IKZ oxide_powder_preparation
Epitaxial Growth MOVPE-SrTiO IKZ Plugin movpe_1
Epitaxial Growth MOVPE-Ga2O3 IKZ Plugin movpe_2
Epitaxial Growth MOVPE IMEM-CNR Plugin movpe
Crystal Growth Directional Solidification IKZ Plugin directional_solidification
Epitaxial Growth MBE PDI mbe_epitaxy
Epitaxial Growth MBE IKZ mbe_SiGe
Sol-Gel Synthesis Aerogels aerogel_synthesis
Database Material_db from IKZ IKZ material_db_IKZ
Surface Coating Spin-coating surface_coating_methods
Surface Coating Dip-coating surface_coating_methods
Surface Coating Sputtering surface_coating_methods
Surface Coating Evaporation surface_coating_methods
Electric properties Hall Measurements IKZ Plugin lakeshore_nomad_plugin
Optical properties Reflectance IKZ Plugin laytec_epitt_plugin
Transmission Transmission measurements transmission
AFM Atomic Force Microscopy AFM
Various CPFS-Dresden

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The ELN custom schemas from synthesis experiments

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