--- license: cc-by-4.0 task_categories: - tabular-regression - tabular-classification language: - en tags: - materials-science - chemistry - battery - solid-state-electrolyte - ionic-conductivity - activation-energy - lithium-ion - DFT - machine-learning - materials-informatics - battery-materials - scandium-labs pretty_name: Solid-State Battery Electrolyte Dataset — Ionic Conductivity & Activation Energy | Scandium Labs size_categories: - 10K **Honest scope:** the release contains **30838 bulk structural / > thermodynamic DFT records** (Materials Project, JARVIS-DFT, COD, AFLOW, NOMAD, > OQMD) plus **183 human-verified experimental conductivity/Ea labels** > across 11 solid-state-electrolyte families, **427 materials with > cross-paper consensus statistics**, and a **165-record gold benchmark**. > The scarce verified labels are the asset; the bulk DFT rows are the > structure/composition backbone for featurization. ## Companion Datasets - **Scandium Labs SSB Dataset** (this dataset) — literature-verified ionic conductivity & activation energy on the electrolyte transport bottleneck. - [**Scandium-Dataset**](https://huggingface.co/datasets/Scandium-Labs/Scandium-Dataset) — harmonized DFT structural & thermodynamic screening foundation (267,230 materials from Materials Project / OQMD / JARVIS-DFT) for the *earlier* discovery-stage filter before transport prediction. ## Ionic Conductivity Data The `verified` config holds the literature-verified σ_RT (S/cm) and activation energy Ea (eV) labels for solid-state battery electrolytes. Each record carries its source DOI, measurement temperature, measurement method, conductivity type, and sentence-level provenance evidence. ## Solid-State Electrolyte Families All 11 major families are covered: sulfides, oxides, garnets, perovskites, NASICONs, halides, argyrodites, hydrides, borohydrides, antiperovskites, and polymer/composites. ## How This Dataset Was Built An automated multi-agent pipeline: source ingestion (8 connectors) → family classification → literature mining & LLM-assisted extraction → deterministic verification (Arrhenius consistency, unit normalization, cross-paper consensus) → human review → quality scoring → validation → release. The pipeline is fully deterministic after ingestion; no LLM calls are required to reproduce any artifact. Source code and pipeline docs: [Scandium Labs on GitHub](https://github.com/Scandium-Labs/Scandium-Labs-Solid-State-Battery-Dataset). ## Data Splits Splits are grouped by composition-family key to prevent leakage between polymorphs and doped variants of the same base composition. See `splits_metadata.json` in the source repository for the exact assignment. ## Known Limitations - 98% of quality-scored records sit in a single "silver" tier — honest, not a scoring bug: experimental metadata (density, pressure, atmosphere) is sparse. - Antiperovskites, hydrides, and borohydrides are under-covered relative to sulfides/garnets — this reflects the field's publication volume, not a sampling choice. - Bulk DFT rows are **not** screened for solid-electrolyte relevance; check `family` / `negative.*` flags before use. - 150 AFLOW rows are restricted to non-commercial use (see Licensing below). ## Licensing Scandium-authored content is CC-BY-4.0. Third-party records retain their source licenses (Materials Project CC-BY-4.0, JARVIS-DFT CC0, OQMD CC-BY-4.0, COD CC0, NOMAD CC-BY-4.0, **AFLOW non-commercial only**). Per-record source is in `identity.source_db`. See `LICENSE` and `LICENSE_BREAKDOWN.md` for the full per-source table and the "AS IS" warranty disclaimer. ## Citation If you use this dataset in your research, please cite it: ```bibtex @dataset{scandium_ssb_dataset_2026, author = {Scandium Labs Team}, title = {Solid-State Battery Electrolyte Dataset — Ionic Conductivity \& Activation Energy}, year = 2026, version = v1.9.0, publisher = {Scandium Labs}, url = {https://huggingface.co/datasets/Scandium-Labs/solid-state-electrolyte-conductivity} } ``` ## Links - [GitHub repository](https://github.com/Scandium-Labs/Scandium-Labs-Solid-State-Battery-Dataset) — pipeline source code, changelog, issue tracker - [Scandium Labs](https://scandium-labs.com) — company site - [Author portfolio](https://shamique-khan.vercel.app) — Shamique Khan ## Contact & Feedback Open an issue on the [source repository](https://github.com/Scandium-Labs/Scandium-Labs-Solid-State-Battery-Dataset) for corrections, community submissions, or questions.