| { |
| "citation": [ |
| { |
| "text": "Hamidieh (2018), A data-driven statistical model for predicting the critical temperature of a superconductor.", |
| "url": "https://arxiv.org/abs/1803.10260" |
| }, |
| { |
| "text": "Trabucco et al. (2022), Design-Bench.", |
| "url": "https://arxiv.org/abs/2202.08450" |
| } |
| ], |
| "context": [ |
| { |
| "constraints": [ |
| { |
| "kind": "length", |
| "maximum": 86, |
| "minimum": 86 |
| }, |
| { |
| "kind": "finite" |
| }, |
| { |
| "kind": "range", |
| "maximum": 1.0, |
| "minimum": 0.0 |
| } |
| ], |
| "description": "Normalized H-to-Rn elemental fractions rounded to eight decimals.", |
| "name": "composition", |
| "required": false |
| }, |
| { |
| "description": "First UCI material formula in the group.", |
| "name": "representative_formula", |
| "required": false |
| }, |
| { |
| "description": "Aligned UCI source row IDs.", |
| "name": "source_record_ids", |
| "required": false |
| }, |
| { |
| "description": "Aligned source material formulas.", |
| "name": "material_formulas", |
| "required": false |
| }, |
| { |
| "description": "All aligned measured critical temperatures.", |
| "name": "critical_temperatures_k", |
| "required": false, |
| "unit": "K" |
| }, |
| { |
| "description": "Minimum measured group temperature.", |
| "name": "critical_temp_min_k", |
| "required": false, |
| "unit": "K" |
| }, |
| { |
| "description": "Maximum measured group temperature.", |
| "name": "critical_temp_max_k", |
| "required": false, |
| "unit": "K" |
| }, |
| { |
| "description": "Population standard deviation of group temperatures.", |
| "name": "critical_temp_std_k", |
| "required": false, |
| "unit": "K" |
| }, |
| { |
| "description": "Number of retained source observations.", |
| "name": "observation_count", |
| "required": false |
| }, |
| { |
| "description": "All aligned UCI descriptor vectors.", |
| "name": "descriptor_features_by_observation", |
| "required": false |
| }, |
| { |
| "constraints": [ |
| { |
| "kind": "length", |
| "maximum": 81, |
| "minimum": 81 |
| }, |
| { |
| "kind": "finite" |
| } |
| ], |
| "description": "Median of the 81 aligned UCI composition descriptors.", |
| "name": "descriptor_features", |
| "required": false |
| } |
| ], |
| "dataset_id": "design-bench/superconductor", |
| "default_split": "composition_groups", |
| "description": "UCI superconductors grouped by normalized elemental composition, with every source measurement retained.", |
| "inputs": [ |
| { |
| "constraints": [ |
| { |
| "kind": "length", |
| "maximum": 27, |
| "minimum": 27 |
| } |
| ], |
| "description": "Stable identity of one normalized composition group.", |
| "name": "composition_id" |
| } |
| ], |
| "knowledge": { |
| "chemical_composition_stoichiometry_and_formulas": { |
| "description": "Chemical formulas, stoichiometric ratios, normalized elemental fractions, nonstoichiometry, and composition limitations.", |
| "media_type": "text/markdown", |
| "path": "knowledge/shared/chemical-composition-stoichiometry-and-formulas.md", |
| "title": "Chemical Composition, Stoichiometry, and Formulas" |
| }, |
| "composition_derived_material_descriptors": { |
| "description": "Element-property statistics, weighted and unweighted summaries, composition entropy, and information lost by aggregation.", |
| "media_type": "text/markdown", |
| "path": "knowledge/shared/composition-derived-material-descriptors.md", |
| "title": "Composition-Derived Material Descriptors" |
| }, |
| "composition_structure_phase_and_processing": { |
| "description": "Relationships among composition, crystal structure, phase, defects, processing history, and measured properties.", |
| "media_type": "text/markdown", |
| "path": "knowledge/shared/composition-structure-phase-and-processing.md", |
| "title": "Composition, Structure, Phase, and Processing" |
| }, |
| "elemental_properties_and_periodic_trends": { |
| "description": "Definitions, conventions, and broad trends for elemental properties used to describe multielement materials.", |
| "media_type": "text/markdown", |
| "path": "knowledge/shared/elemental-properties-and-periodic-trends.md", |
| "title": "Elemental Properties and Periodic Trends" |
| }, |
| "superconducting_material_families": { |
| "description": "Major conventional and unconventional superconductor families, their structural context, mechanisms, doping, and pressure.", |
| "media_type": "text/markdown", |
| "path": "knowledge/design-bench/superconductor/superconducting-material-families.md", |
| "title": "Superconducting Material Families" |
| }, |
| "superconducting_transition_measurement_and_conditions": { |
| "description": "Resistive, magnetic, and thermodynamic transition evidence and the effects of field, current, pressure, phase, and sample state.", |
| "media_type": "text/markdown", |
| "path": "knowledge/design-bench/superconductor/superconducting-transition-measurement-and-conditions.md", |
| "title": "Superconducting Transition Measurement and Conditions" |
| }, |
| "superconductivity_and_critical_temperature": { |
| "description": "Zero resistance, the Meissner effect, Cooper pairing, critical temperature, critical fields, and type-I/type-II behavior.", |
| "media_type": "text/markdown", |
| "path": "knowledge/design-bench/superconductor/superconductivity-and-critical-temperature.md", |
| "title": "Superconductivity and Critical Temperature" |
| } |
| }, |
| "license": "cc-by-4.0", |
| "schema_version": 1, |
| "source": [ |
| { |
| "checksum": "sha256:87f4490d73390ff94ee01dbf0d7d32abc80b22f2c803d471765cfc46a9f6371e", |
| "name": "UCI Superconductivity Data", |
| "url": "https://archive.ics.uci.edu/dataset/464/superconductivty+data", |
| "version": "dataset 464" |
| }, |
| { |
| "name": "Design-Bench Superconductor preprocessing", |
| "revision": "e52939588421b5433f6f2e9b359cf013c542bd89", |
| "url": "https://github.com/brandontrabucco/design-bench/blob/e52939588421b5433f6f2e9b359cf013c542bd89/process/process_raw_superconductor.py" |
| } |
| ], |
| "splits": [ |
| { |
| "attributes": { |
| "composition_rounding_decimals": 8, |
| "source_rows": 21263, |
| "target_aggregation": "median" |
| }, |
| "description": "All canonical composition groups with source observations retained.", |
| "name": "composition_groups", |
| "num_rows": 15164 |
| } |
| ], |
| "targets": [ |
| { |
| "constraints": [ |
| { |
| "kind": "finite" |
| }, |
| { |
| "kind": "range", |
| "maximum": 200.0, |
| "minimum": 0.0 |
| } |
| ], |
| "description": "Median measured critical temperature within the composition group.", |
| "name": "critical_temp_k", |
| "unit": "K" |
| } |
| ], |
| "version": "1.0.0" |
| } |
|
|