design-bench / manifests /superconductor.json
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{
"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"
}