schema · 9 fields

database of "Thermoelectric materials DFT" github tools

Automate extraction for "database of "Thermoelectric materials DFT" github tools". Extract structured, evidence-grounded data points directly from hundreds of papers with source page coordinates.

Build Your Own Database Free

Schema Field Definitions (9)

Field Name	Data Type	Description
tool_name	string	The official name of the computational software, tool, or workflow package described in the paper.
repository_url	string	The exact GitHub or public code repository URL hosting the source code of the tool.
primary_language	string	The primary programming language in which the tool is developed (e.g., Python, Fortran, Julia, C++).
interfaced_dft_codes	string	The specific density functional theory (DFT) engine(s) or packages with which the tool directly interfaces or imports data from (e.g., VASP, Quantum ESPRESSO, WIEN2k, ABINIT).
transport_formalism	string	The underlying theoretical formalism used by the tool to evaluate thermoelectric transport properties (e.g., Boltzmann Transport Equation, Landauer-Büttiker, Green-Kubo).
scattering_model	string	The carrier scattering or relaxation time model implemented by the tool (e.g., Constant Relaxation Time Approximation, Deformation Potential Theory, Electron-Phonon Wannier Interpolation).
calculates_electronic_transport	boolean	True if the tool calculates electronic transport properties (such as Seebeck coefficient, electrical conductivity, or electronic thermal conductivity); false otherwise.
calculates_lattice_thermal_conductivity	boolean	True if the tool calculates phonon dispersion or lattice thermal conductivity via anharmonic phonon scattering; false otherwise.
software_license	string	The specific software license under which the repository is released (e.g., MIT, GPL-3.0, Apache-2.0, BSD-3-Clause). Return null if not specified.

Data Verification Status Taxonomy

To maintain rigorous scientific standards, Sci-database differentiates between automated signals and human audit:

Extracted

Value located and extracted from the full-text PDF by the Kateeb engine.

Model-Agreed

An independent second model produced a compatible value during automated second-pass review.

Human-Reviewed

A named researcher audited the value against the visual page coordinates.

Benchmark-Validated

Performance evaluated against a standardized, published evaluation protocol.

Replicated

An independent external research group reproduced the extraction and experimental result.

database of "Thermoelectric materials DFT" github tools

Schema Field Definitions (9)

Data Verification Status Taxonomy

Dataset provenance & access