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Schema Reference

This page details the schema quantities defined in nomad_battery_database.schema_packages.battery_schema.BatteryDatabase. The data we are publishing here is extracted by Chemdataextractor and this work has been done by https://doi.org/10.1038/s41597-020-00602-2 . Feel free to let us know if you find any descripancy with original data here.

Core Information

  • material_name (str): The common name or label for the material entry.
  • extracted_name (str): A structured string representation of the chemical composition, e.g., [{'Li': '1'}, {'Fe': '1'}].
  • chemical_formula_hill (str): The Hill-ordered chemical formula derived from extracted_name.
  • elements (list[str]): A list of elements present in the material.

Bibliographic

  • DOI (str): The Digital Object Identifier of the source publication.
  • title (str): The title of the publication.
  • journal (str): The name of the journal.
  • publication_year (str): The year of publication, extracted from the publication date.
  • publication (PublicationReference): A sub-section containing structured bibliographic data.

Quantitative Properties

For each property, there are typically three fields: 1. A "raw value" field (e.g., capacity_raw_value) directly from the source file. 2. A "raw unit" field (e.g., capacity_raw_unit). 3. A standardized field with a default (more standard) unit (e.g., capacity with unit mA*hour/g).

  • Capacity
    • capacity_raw_value (float)
    • capacity_raw_unit (str)
    • capacity (float, unit: mA*hour/g)
  • Voltage
    • voltage_raw_value (float)
    • voltage_raw_unit (str)
    • voltage (float, unit: V)
  • Coulombic Efficiency
    • coulombic_efficiency_raw_value (float)
    • coulombic_efficiency_raw_unit (str)
    • coulombic_efficiency (float)
  • Energy Density
    • energy_density_raw_value (float)
    • energy_density_raw_unit (str)
    • energy_density (float, unit: W*hour/kg)
  • Conductivity
    • conductivity_raw_value (float)
    • conductivity_raw_unit (str)
    • conductivity (float, unit: S/cm)

Metadata and Filtering

  • available_properties (str): A human-readable summary of which quantitative properties are available for this entry (e.g., "Capacity and Voltage"). Used for filtering in the GUI.
  • specifier (str): A term describing the experimental conditions (e.g., "discharge capacity").
  • tag (str): A general-purpose tag for categorization.
  • info (str): Additional information about the measurement.