Datasets:
Formats:
parquet
Languages:
English
Size:
10K - 100K
Tags:
materials-science
chemistry
battery
solid-state-electrolyte
ionic-conductivity
activation-energy
License:
identity.material_id string | identity.source_db string | identity.source_id string | identity.family string | identity.subfamily_tag list | identity.ingestion_date timestamp[ns, tz=UTC] | identity.schema_version string | identity.confidence_tier string | structure.structure_relaxed string | structure.structure_unrelaxed null | structure.space_group string | structure.lattice_params null | structure.li_site_occupancy list | structure.coordination_environment list | structure.structure_type string | structure.is_experimental_structure bool | thermodynamics.formation_energy_per_atom float64 | thermodynamics.energy_above_hull float64 | thermodynamics.band_gap float64 | thermodynamics.decomposition_products list | thermodynamics.electrochemical_stability_window null | thermodynamics.functional_used string | ion_transport.sigma_RT float64 | ion_transport.sigma_vs_T_curve list | ion_transport.activation_energy_Ea float64 | ion_transport.conductivity_type string | ion_transport.conductivity_source_type string | ion_transport.measurement_method string | ion_transport.temperature_range_measured dict | ion_transport.label_available bool | mechanical.bulk_modulus float64 | mechanical.shear_modulus float64 | mechanical.elastic_tensor list | synthesis.precursors list | synthesis.synthesis_route list | synthesis.synthesis_atmosphere string | synthesis.requires_interlayer null | synthesis.processing_metadata null | ml_features.graph_representation null | ml_features.composition_descriptors null | ml_features.symmetry_descriptors null | ml_features.split_assignment null | ml_features.split_group_key string | text_provenance.source_doi string | text_provenance.source_paper_title null | text_provenance.extraction_method string | text_provenance.extraction_confidence_score float64 | text_provenance.extraction_reviewer string | identity.is_electrolyte_candidate bool | structure.lattice_params.a float64 | structure.lattice_params.b float64 | structure.lattice_params.c float64 | structure.lattice_params.alpha float64 | structure.lattice_params.beta float64 | structure.lattice_params.gamma float64 | identity.composition string | identity.reduced_formula string | structure.density float64 | structure.volume float64 | structure.nsites float64 | identity.formula_pretty string | identity.formula_anonymous string | identity.chemsys string | identity.elements list | identity.nelements float64 | identity.database_ids list | structure.space_group_number float64 | structure.crystal_system string | structure.point_group string | structure.symmetry_operations_count float64 | structure.density_atomic float64 | structure.coordination_csm list | structure.coordination_species list | structure.robocrys_description string | structure.mineral_prototype string | structure.packing_fraction float64 | structure.bond_length_stats dict | structure.bond_types dict | structure.coordination_number float64 | structure.dimensionality float64 | structure.polyhedron_volume float64 | structure.polyhedron_distortion float64 | structure.bond_angle_variance float64 | structure.tetrahedrality float64 | structure.octahedrality float64 | structure.mean_neighbor_distance float64 | structure.neighbor_species_distribution dict | structure.nearest_neighbor_distance float64 | structure.li_site_count float64 | structure.li_vacancy_fraction float64 | structure.li_hopping_distance float64 | thermodynamics.is_stable bool | thermodynamics.equilibrium_reaction_energy_per_atom float64 | thermodynamics.cbm float64 | thermodynamics.vbm float64 | thermodynamics.efermi float64 | thermodynamics.is_gap_direct bool | thermodynamics.is_metal bool | thermodynamics.weighted_surface_energy float64 | thermodynamics.surface_anisotropy float64 | thermodynamics.weighted_work_function float64 | thermodynamics.total_energy null | thermodynamics.energy_per_atom null | magnetic.is_magnetic bool | magnetic.ordering string | magnetic.total_magnetization float64 | magnetic.total_magnetization_normalized_vol float64 | magnetic.total_magnetization_normalized_formula_units float64 | magnetic.num_magnetic_sites float64 | magnetic.num_unique_magnetic_sites float64 | magnetic.types_of_magnetic_species list | electronic.possible_species list | electronic.oxidation_states list | electronic.average_oxidation_states dict | chemistry.electronegativity_mean float64 | chemistry.electronegativity_max float64 | chemistry.electronegativity_min float64 | chemistry.electronegativity_std float64 | chemistry.valence_electron_count float64 | chemistry.atomic_fractions dict | chemistry.elemental_fractions dict | chemistry.weight_fractions dict | chemistry.atomic_radius_mean float64 | chemistry.atomic_radius_std float64 | chemistry.ionic_radius_mean float64 | chemistry.ionic_radius_std float64 | chemistry.average_atomic_mass float64 | chemistry.average_group float64 | chemistry.average_period float64 | chemistry.average_mendeleev_number float64 | redox.redox_active_elements list | redox.average_oxidation float64 | redox.oxidation_range float64 | redox.mixed_valence bool | redox.anion_type list | redox.cation_type list | redox.electroneutral bool | ion_transport.mobile_ion string | mechanical.youngs_modulus null | mechanical.homogeneous_poisson float64 | mechanical.universal_anisotropy float64 | mechanical.compliance_tensor list | mechanical.debye_temperature float64 | mechanical.sound_velocity dict | mechanical.thermal_conductivity dict | dielectric.e_total float64 | dielectric.e_electronic float64 | dielectric.e_ionic float64 | dielectric.dielectric_tensor list | dielectric.refractive_index_n float64 | dielectric.piezo_e_ij_max float64 | synthesis.temperature_C float64 | synthesis.time_h float64 | synthesis.pressure_atm null | synthesis.atmosphere string | synthesis.cooling_rate_C_per_min null | synthesis.heating_rate_C_per_min null | synthesis.calcination bool | synthesis.annealing bool | synthesis.ball_milling bool | synthesis.sintering bool | synthesis.hot_pressing bool | synthesis.spark_plasma_sintering bool | synthesis.sol_gel bool | synthesis.solid_state bool | synthesis.mechanochemical bool | synthesis.reaction_string string | synthesis.synthesis_doi string | synthesis.synthesis_type string | experiment.sample_form null | experiment.pellet_diameter_mm null | experiment.thickness_mm null | experiment.relative_density_pct null | experiment.theoretical_density_g_per_cm3 null | experiment.pellet_density_g_per_cm3 null | experiment.pelletizing_pressure_MPa null | experiment.electrode_material null | experiment.electrode_deposition null | experiment.frequency_min_Hz null | experiment.frequency_max_Hz null | experiment.atmosphere null | experiment.humidity null | experiment.measurement_method null | experiment.conductivity_type null | experiment.heating_rate_C_per_min null | experiment.cooling_rate_C_per_min null | experiment.sinter_temperature_C null | experiment.sinter_time_h null | experiment.annealing_temperature_C null | experiment.annealing_time_h null | experiment.instrument null | experiment.equivalent_circuit null | experiment.dc_bias_V null | experiment.notes null | experiment.grain_size_um null | experiment.porosity_pct null | experiment.electrolyte_thickness_mm null | experiment.electrolyte_area_cm2 null | experiment.current_density_mA_per_cm2 null | experiment.cell_configuration null | experiment.electrochemical_window_V null | experiment.critical_current_density_mA_per_cm2 null | experiment.cycling_stability null | experiment.sigma_60C_S_per_cm null | experiment.sigma_80C_S_per_cm null | graph.num_nodes float64 | graph.num_edges float64 | graph.average_degree float64 | graph.graph_density float64 | graph.edge_length_mean float64 | graph.edge_length_std float64 | graph.clustering_coefficient float64 | graph.graph_diameter float64 | graph.connected bool | discovery_labels.is_good_ssb bool | discovery_labels.is_promising bool | discovery_labels.is_fast_ion_conductor bool | discovery_labels.is_high_conductivity null | discovery_labels.is_experimental bool | discovery_labels.is_computational bool | discovery_labels.is_verified bool | discovery_labels.confidence_score float64 | discovery_labels.novelty_score null | text_provenance.source_journal null | text_provenance.source_year null | text_provenance.pdf_path null | text_provenance.ensemble_votes null | text_provenance.ensemble_size null | text_provenance.sigma_spread_frac null | text_provenance.evidence_page float64 | text_provenance.evidence_section string | text_provenance.evidence_table_number float64 | text_provenance.evidence_figure_number null | text_provenance.evidence_paragraph string | text_provenance.evidence_sentence string | identity dict | structure dict | thermodynamics dict | magnetic dict | electronic dict | ion_transport dict | mechanical dict | synthesis dict | experiment dict | ml_features dict | text_provenance dict |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
aflow-aflow:019c9366d67e6cca | aflow | aflow:019c9366d67e6cca | unknown | null | 2026-08-05T05:19:43.505000 | null | dft_native | "AgAlLi_sv/TBCC014.BCA - (TBCC014.BCA) - \n 1.01639600000000 \n 4.2265651885760782 2.51(...TRUNCATED) | null | 12 | null | null | null | null | false | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | true | 5.001516 | 5.400029 | 2.847442 | 76.581385 | 86.088999 | 116.430892 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
aflow-aflow:028d25aecd58d27b | aflow | aflow:028d25aecd58d27b | unknown | null | 2026-08-05T05:19:44.730000 | null | dft_native | "AgAlLi_sv/TBCC011.BCA - (TBCC011.BCA) - \n 1.01639600000000 \n 3.2338426629767856 0.00(...TRUNCATED) | null | 123 | null | null | null | null | false | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | true | 3.286865 | 3.286865 | 5.952385 | 90 | 90 | 90 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
aflow-aflow:0323c2282a5d4c31 | aflow | aflow:0323c2282a5d4c31 | unknown | null | 2026-08-05T05:19:46.243000 | null | dft_native | "AgAlLi_sv/TBCC015.ABC - (TBCC015.ABC) - \n 1.01639600000000 \n 4.3762488290916108 0.00(...TRUNCATED) | null | 123 | null | null | null | null | false | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | true | 4.448002 | 4.455896 | 3.220765 | 90 | 90 | 90 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
aflow-aflow:034ea3d09ed07ea6 | aflow | aflow:034ea3d09ed07ea6 | unknown | null | 2026-08-05T05:19:47.465000 | null | dft_native | "AgAlLi_sv/TBCC014.ABC - (TBCC014.ABC) - \n 1.01639600000000 \n 3.1565849794100562 3.08(...TRUNCATED) | null | 65 | null | null | null | null | false | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | true | 4.521783 | 4.521783 | 3.13103 | 90.126102 | 90.126102 | 90.39336 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
aflow-aflow:0380888b300f9292 | aflow | aflow:0380888b300f9292 | unknown | null | 2026-08-05T05:19:48.586000 | null | dft_native | "AgAlLi_sv/TBCC011.ABC - (TBCC011.ABC) - \n 1.01639600000000 \n 3.1274235857033648 0.00(...TRUNCATED) | null | 123 | null | null | null | null | false | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | true | 3.178701 | 3.178701 | 6.355195 | 90 | 90 | 90 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
aflow-aflow:032ffb4c80b4a8a4 | aflow | aflow:032ffb4c80b4a8a4 | unknown | null | 2026-08-05T05:19:49.925000 | null | dft_native | "AgAlLi_sv/TBCC004.ABC - (TBCC004.ABC) - \n 1.01639600000000 \n 2.0668996849475536 -2.07(...TRUNCATED) | null | 99 | null | null | null | null | false | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | true | 2.974365 | 2.974365 | 7.59732 | 90 | 90 | 90.130979 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
aflow-aflow:047ef0bf838750ec | aflow | aflow:047ef0bf838750ec | unknown | null | 2026-08-05T05:19:56.040000 | null | dft_native | "AgAlLi_sv/TFCC004.CAB - (TFCC004.CAB) - \n 1.01639600000000 \n 9.2177903232947926 -1.44(...TRUNCATED) | null | 160 | null | null | null | null | false | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | true | 9.483009 | 9.483009 | 9.483009 | 17.790751 | 17.790751 | 17.790751 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
aflow-aflow:0559ef2d2381a96d | aflow | aflow:0559ef2d2381a96d | unknown | null | 2026-08-05T05:19:57.257000 | null | dft_native | "AgAlLi_sv/TFCC015.CAB - (TFCC015.CAB) - \n 1.01639600000000 \n 2.7507298773504858 -3.95(...TRUNCATED) | null | 65 | null | null | null | null | false | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | true | 4.892806 | 4.892806 | 2.879487 | 90 | 90 | 110.301859 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
aflow-aflow:0c5b0714ee88e2f7 | aflow | aflow:0c5b0714ee88e2f7 | unknown | null | 2026-08-05T05:19:58.485000 | null | dft_native | "AgAlLi_sv/TBCC010.CAB - (TBCC010.CAB) - \n 1.01639600000000 \n 4.4549525572289994 0.00(...TRUNCATED) | null | 10 | null | null | null | null | false | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | true | 4.527996 | 2.79528 | 5.230608 | 78.493914 | 90 | 90 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
aflow-aflow:0ffe62ffbf8d2cb1 | aflow | aflow:0ffe62ffbf8d2cb1 | unknown | null | 2026-08-05T05:19:59.701000 | null | dft_native | "AgAlLi_sv/TBCC010.ABC - (TBCC010.ABC) - \n 1.01639600000000 \n 3.7091264081198547 0.00(...TRUNCATED) | null | 10 | null | null | null | null | false | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | true | 3.769941 | 2.885209 | 6.554678 | 65.601733 | 90 | 90 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null |
End of preview. Expand in Data Studio
Solid-State Battery Electrolyte Dataset — Ionic Conductivity & Activation Energy
The Scandium Labs Solid-State Battery Electrolyte Dataset provides literature-verified ionic conductivity and activation energy labels for solid-state battery electrolyte materials across 30,000+ Li-containing structures — a provenance-tracked, ML-ready foundation for electrolyte discovery and transport-property prediction.
A unified, provenance-tracked, ML-ready dataset of solid-state battery electrolyte materials with literature-verified ionic conductivity and activation energy labels — not just another Materials Project / JARVIS structural dump. Every one of the 183 verified transport labels traces back to its source paper, page, and evidence sentence.
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 — 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.
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:
@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 — pipeline source code, changelog, issue tracker
- Scandium Labs — company site
- Author portfolio — Shamique Khan
Contact & Feedback
Open an issue on the source repository for corrections, community submissions, or questions.
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