mendeleev-data

Data assets for mendeleev python package

Data

All tables from the mendeleev package are exported:

• alembic_version: Latest database version.
• elements: Main table with elemental properties.
• groups: Periodic table group data.
• ionicradii: Ionic radii data.
• ionizationenergies: Ionization energy data.
• isotopedecaymodes: Decay modes for isotopes.
• isotopes: Main table with isotope data.
• oxidationstates: Oxidation states.
• phasetransitions: Phase tranistion data for elements.
• propertymetadata: Metadata about peperties in mendeleev such as units, references etc.
• scattering_factors: Atomic scattering factors data.
• screeningconstants: Nuclear screening constants data.
• series: Periodic table series data.

To get the schema details for each table see the mendeleev.dbml file.

Available formats

All data that is stored in mendeleev's sqlite database is made available in the follwing formats:

• csv
• html
• json
• sql
• markdown

Except for the sql dump, where all contents are contained in a single file, all other formats are exported so that each file corresponds to a separate table from the mendeleev's data model.

For more information about formats please look into sqlite3 docs.

Overview

To restore mendeleev's sqlite3 database run:

cat data/sql/mendeleev.sql | sqlite3 mendeleev.sqlite

Generate schema

docker run \
  --mount type=bind,source="$(pwd)",target=/home/schcrwlr/share \
  --rm -it \
  schemacrawler/schemacrawler \
  /opt/schemacrawler/bin/schemacrawler.sh \
  --server=sqlite \
  --database=share/elements.db \
  --info-level=standard \
  --command script \
  --script-language python \
  --script dbml.py > mendeleev.dbml