Parameter sets#
How to describe parameter claims: a parameter set is a batch of claims about a target, each naming a curated parameter, a quantity, and a provenance class.
A batch of claims about a target: each names a curated parameter, a quantity or curve, and a provenance class (literature, measured, fitted, assumed).
Claims are records so sources can disagree; consumers select among them.
A BPX file is one record: its claims grouped by part, linked to the cell it describes (or marked a virtual cell), with the file attached and an IRI derived from its parameters.
Define one#
A claim batch from the literature#
from battinfo.api import create_parameter_set
# The uid derives from the target, scope and name.
record = create_parameter_set(
name="Graphite density claims, Smith 2026",
material_kind="graphite",
claims=[
{
"parameter": "density",
"quantity": {"value": 2.26, "unit": "g/cm3"},
"provenance_class": "literature",
}
],
)
{
"schema_version": "0.2.0",
"parameter_set": {
"id": "https://w3id.org/battinfo/id/1001/dataset/qqf7-w7e0-zrpj-vy7q",
"short_id": "qqf7w7",
"name": "Graphite density claims, Smith 2026",
"material_kind": "graphite",
"scope": "material",
"claims": [
{
"parameter": "density",
"quantity": {
"value": 2.26,
"unit": "g/cm3"
},
"provenance_class": "literature"
}
]
},
"provenance": {
"source_type": "literature",
"retrieved_at": 1750000000,
"battinfo_version": "0.8.0"
}
}
Emitted by record_to_jsonld, hosted-context mode.
{
"@context": "https://w3id.org/battinfo/context/records/v1.json",
"@id": "https://w3id.org/battinfo/id/1001/dataset/qqf7-w7e0-zrpj-vy7q",
"@type": "schema:Dataset",
"schema:name": "Graphite density claims, Smith 2026",
"schema:about": {
"@type": "Graphite",
"@id": "https://w3id.org/emmo/domain/chemical-substance#substance_d53259a7_0d9c_48b9_a6c1_4418169df303",
"schema:name": "Graphite"
},
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "scope",
"schema:value": "material"
},
"hasProperty": {
"@type": [
"Density",
"ConventionalProperty"
],
"skos:prefLabel": "Density",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 2.26
},
"hasMeasurementUnit": "https://w3id.org/emmo#GramPerCubicCentiMetre",
"schema:propertyID": "density",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "literature"
}
}
}
What to notice:
The claim batch emits as one
schema:Datasetnode: scalar claims as EMMO-typed quantities, the target onschema:about.No claim batch ships among the packaged examples, which are all BPX files. Build one with
create_parameter_set, as above, or in a workspace withws.add("parameter_set", name=..., material=..., claims=[...]).
One BPX file as one record#
import json
from battinfo.interop import bpx_file_distribution, from_bpx_parameters
# A BPX file's bytes (a small partial file here; read yours from disk).
raw = json.dumps(
{
"Header": {"BPX": "1.1.0", "Title": "Example pouch cell", "Model": "Partial"},
"Parameterisation": {
"Cell": {"Nominal cell capacity [A.h]": 5.0, "Electrode area [m2]": 0.1},
"Negative electrode": {"Particle radius [m]": 5.86e-6, "Thickness [m]": 8.52e-5},
},
"State": {"Initial conditions": {"Initial state-of-charge": 1.0}},
},
indent=2,
).encode("utf-8")
# One file, one record: its IRI derives from the file's parameters.
result = from_bpx_parameters(raw)
record = result.to_parameter_set(
virtual_cell=True, # or cell_spec_id= / cell_instance_id=
materials={"negative": "graphite"}, # BPX does not name its materials
distributions=[
bpx_file_distribution(
raw,
name="example-cell.bpx.json",
content_url="https://files.example.org/parameter-sets/example-cell.bpx.json",
)
],
retrieved_at=1750000000,
)
{
"schema_version": "0.2.0",
"parameter_set": {
"id": "https://w3id.org/battinfo/id/1001/dataset/j6a4-h1cs-bmyh-07qc",
"short_id": "j6a4h1",
"name": "Example pouch cell",
"virtual_cell": true,
"parameters_sha256": "cae9047a38afefc4e8ac96b7024bca32566608a964f9cf55bc2f133670f1d4ae",
"model_context": {
"tool": "BPX",
"name": "Example pouch cell",
"model": "Partial",
"version": "1.1.0",
"layout": "v1"
},
"parts": [
{
"part": "cell",
"claims": [
{
"parameter": "nominal_capacity",
"quantity": {
"value": 5.0,
"unit": "Ah"
}
},
{
"parameter": "electrode_area",
"quantity": {
"value": 0.1,
"unit": "m2"
}
}
]
},
{
"part": "negative_material",
"material_kind": "graphite",
"claims": [
{
"parameter": "particle_radius",
"quantity": {
"value": 5.86e-06,
"unit": "m"
},
"provenance_class": "fitted"
}
]
},
{
"part": "negative_electrode",
"claims": [
{
"parameter": "thickness",
"quantity": {
"value": 8.52e-05,
"unit": "m"
},
"provenance_class": "fitted"
}
]
},
{
"part": "state",
"claims": [
{
"parameter": "initial_soc",
"quantity": {
"value": 1.0,
"unit": "1"
}
}
]
}
],
"distributions": [
{
"type": "DataDownload",
"name": "example-cell.bpx.json",
"role": "source",
"content_url": "https://files.example.org/parameter-sets/example-cell.bpx.json",
"encoding_format": "application/json",
"conforms_to": "BPX 1.1.0",
"byte_size": 418,
"checksum": {
"algorithm": "sha256",
"value": "c0dc1d775e8e0322f39bc9add2bd975cc70d60c7733dbbca9a45088e77745c11"
}
}
]
},
"provenance": {
"source_type": "literature",
"retrieved_at": 1750000000,
"battinfo_version": "0.8.0"
}
}
Emitted by record_to_jsonld, hosted-context mode.
{
"@context": "https://w3id.org/battinfo/context/records/v1.json",
"@id": "https://w3id.org/battinfo/id/1001/dataset/j6a4-h1cs-bmyh-07qc",
"@type": "schema:Dataset",
"schema:name": "Example pouch cell",
"schema:identifier": {
"@type": "schema:PropertyValue",
"schema:propertyID": "parameters-sha256-rfc8785",
"schema:value": "cae9047a38afefc4e8ac96b7024bca32566608a964f9cf55bc2f133670f1d4ae"
},
"schema:additionalProperty": [
{
"@type": "schema:PropertyValue",
"schema:name": "virtual_cell",
"schema:value": true
},
{
"@type": "schema:PropertyValue",
"schema:name": "source_layout",
"schema:value": "v1"
},
{
"@type": "schema:PropertyValue",
"schema:name": "source_model",
"schema:value": "Partial"
},
{
"@type": "schema:PropertyValue",
"schema:name": "source_name",
"schema:value": "Example pouch cell"
},
{
"@type": "schema:PropertyValue",
"schema:name": "source_tool",
"schema:value": "BPX"
},
{
"@type": "schema:PropertyValue",
"schema:name": "source_version",
"schema:value": "1.1.0"
}
],
"schema:hasPart": [
{
"@type": "schema:Dataset",
"schema:name": "Example pouch cell - cell",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "cell"
},
"hasProperty": [
{
"@type": [
"NominalCapacity",
"ConventionalProperty"
],
"skos:prefLabel": "NominalCapacity",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 5.0
},
"hasMeasurementUnit": "https://w3id.org/emmo#AmpereHour",
"schema:propertyID": "nominal_capacity"
},
{
"@type": [
"Area",
"ConventionalProperty"
],
"skos:prefLabel": "Area",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 0.1
},
"hasMeasurementUnit": "https://w3id.org/emmo#SquareMetre",
"schema:propertyID": "electrode_area"
}
]
},
{
"@type": "schema:Dataset",
"schema:name": "Example pouch cell - negative electrode material",
"schema:about": {
"@type": "Graphite",
"@id": "https://w3id.org/emmo/domain/chemical-substance#substance_d53259a7_0d9c_48b9_a6c1_4418169df303",
"schema:name": "Graphite"
},
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "negative_material"
},
"hasProperty": {
"@type": [
"ParticleRadius",
"ConventionalProperty"
],
"skos:prefLabel": "ParticleRadius",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 5.86e-06
},
"hasMeasurementUnit": "https://w3id.org/emmo#Metre",
"schema:propertyID": "particle_radius",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
},
{
"@type": "schema:Dataset",
"schema:name": "Example pouch cell - negative electrode",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "negative_electrode"
},
"hasProperty": {
"@type": [
"Thickness",
"ConventionalProperty"
],
"skos:prefLabel": "Thickness",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 8.52e-05
},
"hasMeasurementUnit": "https://w3id.org/emmo#Metre",
"schema:propertyID": "thickness",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
},
{
"@type": "schema:Dataset",
"schema:name": "Example pouch cell - initial and thermal state",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "state"
},
"hasProperty": {
"@type": [
"StateOfCharge",
"ConventionalProperty"
],
"skos:prefLabel": "StateOfCharge",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 1.0
},
"hasMeasurementUnit": "https://w3id.org/emmo#EMMO_5ebd5e01_0ed3_49a2_a30d_cd05cbe72978",
"schema:propertyID": "initial_soc"
}
}
],
"schema:distribution": {
"@type": "schema:DataDownload",
"schema:contentUrl": "https://files.example.org/parameter-sets/example-cell.bpx.json",
"schema:name": "example-cell.bpx.json",
"schema:encodingFormat": "application/json",
"dcterms:type": "source",
"dcterms:conformsTo": "BPX 1.1.0",
"dcat:byteSize": 418,
"schema:sha256": "c0dc1d775e8e0322f39bc9add2bd975cc70d60c7733dbbca9a45088e77745c11",
"schema:isPartOf": {
"@id": "https://w3id.org/battinfo/id/1001/dataset/j6a4-h1cs-bmyh-07qc"
}
}
}
What to notice:
The parts are blank
schema:Datasetnodes underschema:hasPart; each claim names its parameter key inschema:propertyID, so two keys of one EMMO class (anArea, say) stay apart.The fingerprint the IRI derives from is a
schema:identifier, and the file itself aschema:DataDownloadwith itsschema:sha256.to_bpx(record)rebuilds the file; the how-to Publish a BPX parameter file has the steps.
Common examples#
A selection of real, validated records from the packaged examples corpus — each one click away, included from its single source under examples/. The full, living library is the registry: browse it there.
BPX NMC111 pouch (parameter-set)
The record ships in the installed wheel — load it as a starting point:
import json
from importlib import resources
record = json.loads(
resources.files("battinfo")
.joinpath("data/examples/parameter-set/parameter-set-rnc6-edv8-m43x-ebnq.json")
.read_text(encoding="utf-8")
)
{
"schema_version": "0.2.0",
"parameter_set": {
"id": "https://w3id.org/battinfo/dataset/rnc6-edv8-m43x-ebnq",
"short_id": "rnc6ed",
"name": "BPX NMC111 pouch",
"virtual_cell": true,
"parameters_sha256": "554fdd975bdc88bb7b53abc451980915180a57a2745c10b0f0434f55c058b926",
"model_context": {
"tool": "BPX",
"name": "Parameterisation example of an NMC111|graphite 12.5 Ah pouch cell",
"model": "DFN",
"version": "0.1.0",
"layout": "v0"
},
"parts": [
{
"part": "cell",
"claims": [
{
"parameter": "reference_temperature",
"quantity": {
"value": 298.15,
"unit": "K"
}
},
{
"parameter": "discharging_cutoff_voltage",
"quantity": {
"value": 2.7,
"unit": "V"
}
},
{
"parameter": "charging_cutoff_voltage",
"quantity": {
"value": 4.2,
"unit": "V"
}
},
{
"parameter": "nominal_capacity",
"quantity": {
"value": 12.5,
"unit": "Ah"
}
},
{
"parameter": "specific_heat_capacity",
"quantity": {
"value": 913,
"unit": "J/(kg.K)"
}
},
{
"parameter": "thermal_conductivity",
"quantity": {
"value": 2.04,
"unit": "W/(m.K)"
}
},
{
"parameter": "density",
"quantity": {
"value": 1847,
"unit": "kg/m3"
}
},
{
"parameter": "electrode_area",
"quantity": {
"value": 0.016808,
"unit": "m2"
}
},
{
"parameter": "electrode_pair_count",
"quantity": {
"value": 34,
"unit": "1"
}
},
{
"parameter": "external_surface_area",
"quantity": {
"value": 0.0379,
"unit": "m2"
}
},
{
"parameter": "volume",
"quantity": {
"value": 0.000128,
"unit": "m3"
}
}
]
},
{
"part": "negative_material",
"material_kind": "graphite",
"claims": [
{
"parameter": "particle_radius",
"quantity": {
"value": 4.12e-06,
"unit": "m"
},
"provenance_class": "fitted"
},
{
"parameter": "solid_diffusivity",
"quantity": {
"value": 2.728e-14,
"unit": "m2/s"
},
"provenance_class": "fitted"
},
{
"parameter": "ocp",
"expression": {
"text": "9.47057878e-01 * exp(-1.59418743e+02 * x) - 3.50928033e+04 + 1.64230269e-01 * tanh(-4.55509094e+01 * (x - 3.24116012e-02 )) + 3.69968491e-02 * tanh(-1.96718868e+01 * (x - 1.68334476e-01)) + 1.91517003e+04 * tanh(3.19648312e+00 * (x - 1.85139824e+00)) + 5.42448511e+04 * tanh(-3.19009848e+00 * (x - 2.01660395e+00))",
"language": "bpx",
"argument": "x"
},
"provenance_class": "fitted"
},
{
"parameter": "entropic_coefficient",
"expression": {
"text": "(-0.1112 * x + 0.02914 + 0.3561 * exp(-((x - 0.08309) ** 2) / 0.004616)) / 1000",
"language": "bpx",
"argument": "x"
},
"provenance_class": "fitted"
},
{
"parameter": "reaction_rate_constant",
"quantity": {
"value": 5.199e-06,
"unit": "mol.m-2.s-1"
},
"provenance_class": "fitted"
},
{
"parameter": "stoichiometry_min",
"quantity": {
"value": 0.005504,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "stoichiometry_max",
"quantity": {
"value": 0.75668,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "max_concentration",
"quantity": {
"value": 29730,
"unit": "mol/m3"
},
"provenance_class": "fitted"
},
{
"parameter": "diffusivity_activation_energy",
"quantity": {
"value": 30000,
"unit": "J/mol"
},
"provenance_class": "fitted"
},
{
"parameter": "reaction_rate_activation_energy",
"quantity": {
"value": 55000,
"unit": "J/mol"
},
"provenance_class": "fitted"
}
]
},
{
"part": "negative_electrode",
"claims": [
{
"parameter": "thickness",
"quantity": {
"value": 5.62e-05,
"unit": "m"
},
"provenance_class": "fitted"
},
{
"parameter": "electronic_conductivity",
"quantity": {
"value": 0.222,
"unit": "S/m"
},
"provenance_class": "fitted"
},
{
"parameter": "surface_area_per_volume",
"quantity": {
"value": 499522,
"unit": "1/m"
},
"provenance_class": "fitted"
},
{
"parameter": "porosity",
"quantity": {
"value": 0.253991,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "transport_efficiency",
"quantity": {
"value": 0.128,
"unit": "1"
},
"provenance_class": "fitted"
}
]
},
{
"part": "positive_material",
"material_kind": "nmc111",
"claims": [
{
"parameter": "particle_radius",
"quantity": {
"value": 4.6e-06,
"unit": "m"
},
"provenance_class": "fitted"
},
{
"parameter": "solid_diffusivity",
"quantity": {
"value": 3.2e-14,
"unit": "m2/s"
},
"provenance_class": "fitted"
},
{
"parameter": "ocp",
"expression": {
"text": "-3.04420906 * x + 10.04892207 - 0.65637536 * tanh(-4.02134095 * (x - 0.80063948)) + 4.24678547 * tanh(12.17805062 * (x - 7.57659337)) - 0.3757068 * tanh(59.33067782 * (x - 0.99784492))",
"language": "bpx",
"argument": "x"
},
"provenance_class": "fitted"
},
{
"parameter": "entropic_coefficient",
"quantity": {
"value": -0.0001,
"unit": "V/K"
},
"provenance_class": "fitted"
},
{
"parameter": "reaction_rate_constant",
"quantity": {
"value": 2.305e-05,
"unit": "mol.m-2.s-1"
},
"provenance_class": "fitted"
},
{
"parameter": "stoichiometry_min",
"quantity": {
"value": 0.42424,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "stoichiometry_max",
"quantity": {
"value": 0.9621,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "max_concentration",
"quantity": {
"value": 46200,
"unit": "mol/m3"
},
"provenance_class": "fitted"
},
{
"parameter": "diffusivity_activation_energy",
"quantity": {
"value": 15000,
"unit": "J/mol"
},
"provenance_class": "fitted"
},
{
"parameter": "reaction_rate_activation_energy",
"quantity": {
"value": 35000,
"unit": "J/mol"
},
"provenance_class": "fitted"
}
]
},
{
"part": "positive_electrode",
"claims": [
{
"parameter": "thickness",
"quantity": {
"value": 5.23e-05,
"unit": "m"
},
"provenance_class": "fitted"
},
{
"parameter": "electronic_conductivity",
"quantity": {
"value": 0.789,
"unit": "S/m"
},
"provenance_class": "fitted"
},
{
"parameter": "surface_area_per_volume",
"quantity": {
"value": 432072,
"unit": "1/m"
},
"provenance_class": "fitted"
},
{
"parameter": "porosity",
"quantity": {
"value": 0.277493,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "transport_efficiency",
"quantity": {
"value": 0.1462,
"unit": "1"
},
"provenance_class": "fitted"
}
]
},
{
"part": "separator",
"claims": [
{
"parameter": "thickness",
"quantity": {
"value": 2e-05,
"unit": "m"
},
"provenance_class": "fitted"
},
{
"parameter": "porosity",
"quantity": {
"value": 0.47,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "transport_efficiency",
"quantity": {
"value": 0.3222,
"unit": "1"
},
"provenance_class": "fitted"
}
]
},
{
"part": "electrolyte",
"claims": [
{
"parameter": "transference_number",
"quantity": {
"value": 0.2594,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "ionic_conductivity",
"expression": {
"text": "0.1297 * (x / 1000) ** 3 - 2.51 * (x / 1000) ** 1.5 + 3.329 * (x / 1000)",
"language": "bpx",
"argument": "x"
},
"provenance_class": "fitted"
},
{
"parameter": "electrolyte_diffusivity",
"expression": {
"text": "8.794e-11 * (x / 1000) ** 2 - 3.972e-10 * (x / 1000) + 4.862e-10",
"language": "bpx",
"argument": "x"
},
"provenance_class": "fitted"
},
{
"parameter": "conductivity_activation_energy",
"quantity": {
"value": 17100,
"unit": "J/mol"
},
"provenance_class": "fitted"
},
{
"parameter": "diffusivity_activation_energy",
"quantity": {
"value": 17100,
"unit": "J/mol"
},
"provenance_class": "fitted"
}
]
},
{
"part": "state",
"claims": [
{
"parameter": "initial_temperature",
"quantity": {
"value": 298.15,
"unit": "K"
}
},
{
"parameter": "initial_concentration",
"quantity": {
"value": 1000,
"unit": "mol/m3"
}
},
{
"parameter": "ambient_temperature",
"quantity": {
"value": 298.15,
"unit": "K"
}
}
]
}
],
"not_imported": [
"Validation"
],
"distributions": [
{
"type": "DataDownload",
"name": "nmc_pouch_cell_BPX.json",
"role": "source",
"content_url": "https://raw.githubusercontent.com/FaradayInstitution/BPX/eb5da74588631ffee0e81f00746352a3f5ba5414/examples/nmc_pouch_cell_BPX.json",
"encoding_format": "application/json",
"conforms_to": "BPX 0.1.0",
"byte_size": 8830,
"checksum": {
"algorithm": "sha256",
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"hasMeasurementUnit": "https://w3id.org/emmo#SiemensPerMetre",
"schema:propertyID": "electronic_conductivity",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"VolumetricSurfaceArea",
"ConventionalProperty"
],
"skos:prefLabel": "VolumetricSurfaceArea",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 432072
},
"hasMeasurementUnit": "https://w3id.org/emmo#PerMetre",
"schema:propertyID": "surface_area_per_volume",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"Porosity",
"ConventionalProperty"
],
"skos:prefLabel": "Porosity",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 0.277493
},
"hasMeasurementUnit": "https://w3id.org/emmo#EMMO_5ebd5e01_0ed3_49a2_a30d_cd05cbe72978",
"schema:propertyID": "porosity",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"TransportEfficiency",
"ConventionalProperty"
],
"skos:prefLabel": "TransportEfficiency",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 0.1462
},
"hasMeasurementUnit": "https://w3id.org/emmo#EMMO_5ebd5e01_0ed3_49a2_a30d_cd05cbe72978",
"schema:propertyID": "transport_efficiency",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
]
},
{
"@type": "schema:Dataset",
"schema:name": "BPX NMC111 pouch - separator",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "separator"
},
"hasProperty": [
{
"@type": [
"Thickness",
"ConventionalProperty"
],
"skos:prefLabel": "Thickness",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 2e-05
},
"hasMeasurementUnit": "https://w3id.org/emmo#Metre",
"schema:propertyID": "thickness",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"Porosity",
"ConventionalProperty"
],
"skos:prefLabel": "Porosity",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 0.47
},
"hasMeasurementUnit": "https://w3id.org/emmo#EMMO_5ebd5e01_0ed3_49a2_a30d_cd05cbe72978",
"schema:propertyID": "porosity",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"TransportEfficiency",
"ConventionalProperty"
],
"skos:prefLabel": "TransportEfficiency",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 0.3222
},
"hasMeasurementUnit": "https://w3id.org/emmo#EMMO_5ebd5e01_0ed3_49a2_a30d_cd05cbe72978",
"schema:propertyID": "transport_efficiency",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
]
},
{
"@type": "schema:Dataset",
"schema:name": "BPX NMC111 pouch - electrolyte",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "electrolyte"
},
"hasProperty": [
{
"@type": [
"ChargeCarrierTransportNumber",
"ConventionalProperty"
],
"skos:prefLabel": "ChargeCarrierTransportNumber",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 0.2594
},
"hasMeasurementUnit": "https://w3id.org/emmo#EMMO_5ebd5e01_0ed3_49a2_a30d_cd05cbe72978",
"schema:propertyID": "transference_number",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"ActivationEnergyOfElectrolyteConductivity",
"ConventionalProperty"
],
"skos:prefLabel": "ActivationEnergyOfElectrolyteConductivity",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 17100
},
"hasMeasurementUnit": "https://w3id.org/emmo#JoulePerMole",
"schema:propertyID": "conductivity_activation_energy",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"ActivationEnergy",
"ConventionalProperty"
],
"skos:prefLabel": "ActivationEnergy",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 17100
},
"hasMeasurementUnit": "https://w3id.org/emmo#JoulePerMole",
"schema:propertyID": "diffusivity_activation_energy",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
],
"schema:variableMeasured": [
{
"@type": "schema:PropertyValue",
"schema:name": "ionic_conductivity",
"schema:propertyID": "ionic_conductivity",
"schema:value": "0.1297 * (x / 1000) ** 3 - 2.51 * (x / 1000) ** 1.5 + 3.329 * (x / 1000)",
"schema:description": "expression (bpx)",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": "schema:PropertyValue",
"schema:name": "electrolyte_diffusivity",
"schema:propertyID": "electrolyte_diffusivity",
"schema:value": "8.794e-11 * (x / 1000) ** 2 - 3.972e-10 * (x / 1000) + 4.862e-10",
"schema:description": "expression (bpx)",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
]
},
{
"@type": "schema:Dataset",
"schema:name": "BPX NMC111 pouch - initial and thermal state",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "state"
},
"hasProperty": [
{
"@type": [
"ThermodynamicTemperature",
"ConventionalProperty"
],
"skos:prefLabel": "ThermodynamicTemperature",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 298.15
},
"hasMeasurementUnit": "https://w3id.org/emmo#Kelvin",
"schema:propertyID": "initial_temperature"
},
{
"@type": [
"InitialChargeCarrierConcentrationInElectrolyte",
"ConventionalProperty"
],
"skos:prefLabel": "InitialChargeCarrierConcentrationInElectrolyte",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 1000
},
"hasMeasurementUnit": "https://w3id.org/emmo#MolePerCubicMetre",
"schema:propertyID": "initial_concentration"
},
{
"@type": [
"ConventionalProperty"
],
"skos:prefLabel": "ambient_temperature",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 298.15
},
"hasMeasurementUnit": "https://w3id.org/emmo#Kelvin",
"schema:propertyID": "ambient_temperature"
}
]
}
],
"schema:distribution": {
"@type": "schema:DataDownload",
"schema:contentUrl": "https://raw.githubusercontent.com/FaradayInstitution/BPX/eb5da74588631ffee0e81f00746352a3f5ba5414/examples/nmc_pouch_cell_BPX.json",
"schema:name": "nmc_pouch_cell_BPX.json",
"schema:encodingFormat": "application/json",
"dcterms:type": "source",
"dcterms:conformsTo": "BPX 0.1.0",
"dcat:byteSize": 8830,
"schema:sha256": "719815a1f3d6e255f5773bbef1932e5453ec1e31846bf74c52796d793cbc7de3",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "bpx_parse",
"schema:value": true,
"schema:description": "bpx 1.1.1 Parser warnings: Detected a legacy BPX v0.x file/object; converting to the v1.x schema for backward compatibility. The conversion is approximate: the 'State' block is synthesised from the v0.x parameterisation (initial SOC set to 1, ambient and initial temperatures resolved from those provided, lumped thermal conductivity dropped). Optional v1.x fields that have no v0.x equivalent (e.g. initial hysteresis state and heat transfer coefficient) are omitted from the converted object rather than given a value here, so any tool that consumes it will apply its own defaults for them. Cross-version semantic changes are not corrected. Re-export from bpx>=1 to silence this warning, or pass convert_legacy=False to disable conversion. | The maximum voltage computed from the STO limits (4.201761488607647 V) is higher than the upper voltage cut-off (4.2 V) with the absolute tolerance v_tol = 0.001 V. Parsed by the official bpx parser.",
"dcterms:date": "2026-10-11"
},
"schema:isPartOf": {
"@id": "https://w3id.org/battinfo/dataset/rnc6-edv8-m43x-ebnq"
}
},
"schema:citation": {
"@id": "https://github.com/FaradayInstitution/BPX",
"@type": "schema:CreativeWork"
},
"schema:comment": "Imported from the FaradayInstitution/BPX examples (MIT licence, (c) 2022 University of Oxford).",
"dcterms:license": {
"@id": "https://spdx.org/licenses/MIT.html"
}
}
BPX LFP 18650 (parameter-set)
The record ships in the installed wheel — load it as a starting point:
import json
from importlib import resources
record = json.loads(
resources.files("battinfo")
.joinpath("data/examples/parameter-set/parameter-set-h7g7-5082-63jk-9wm3.json")
.read_text(encoding="utf-8")
)
{
"schema_version": "0.2.0",
"parameter_set": {
"id": "https://w3id.org/battinfo/dataset/h7g7-5082-63jk-9wm3",
"short_id": "h7g750",
"name": "BPX LFP 18650",
"virtual_cell": true,
"parameters_sha256": "7e7da04a7bee449ae4f36c970a0a5a6f7c3305b6da517122324ba62369b424ff",
"model_context": {
"tool": "BPX",
"name": "Parameterisation example of an LFP|graphite 2 Ah cylindrical 18650 cell.",
"model": "DFN",
"version": "0.1.0",
"layout": "v0"
},
"parts": [
{
"part": "cell",
"claims": [
{
"parameter": "reference_temperature",
"quantity": {
"value": 298.15,
"unit": "K"
}
},
{
"parameter": "discharging_cutoff_voltage",
"quantity": {
"value": 2.0,
"unit": "V"
}
},
{
"parameter": "charging_cutoff_voltage",
"quantity": {
"value": 3.65,
"unit": "V"
}
},
{
"parameter": "nominal_capacity",
"quantity": {
"value": 2,
"unit": "Ah"
}
},
{
"parameter": "specific_heat_capacity",
"quantity": {
"value": 999,
"unit": "J/(kg.K)"
}
},
{
"parameter": "thermal_conductivity",
"quantity": {
"value": 1.89,
"unit": "W/(m.K)"
}
},
{
"parameter": "density",
"quantity": {
"value": 1940,
"unit": "kg/m3"
}
},
{
"parameter": "electrode_area",
"quantity": {
"value": 0.08959998,
"unit": "m2"
}
},
{
"parameter": "electrode_pair_count",
"quantity": {
"value": 1,
"unit": "1"
}
},
{
"parameter": "external_surface_area",
"quantity": {
"value": 0.00431,
"unit": "m2"
}
},
{
"parameter": "volume",
"quantity": {
"value": 1.7e-05,
"unit": "m3"
}
}
]
},
{
"part": "negative_material",
"material_kind": "graphite",
"claims": [
{
"parameter": "particle_radius",
"quantity": {
"value": 4.8e-06,
"unit": "m"
},
"provenance_class": "fitted"
},
{
"parameter": "solid_diffusivity",
"quantity": {
"value": 9.6e-15,
"unit": "m2/s"
},
"provenance_class": "fitted"
},
{
"parameter": "ocp",
"expression": {
"text": "5.29210878e+01 * exp(-1.72699386e+02 * x) - 1.17963399e+03 + 1.20956356e+03 * tanh(6.72033948e+01 * (x + 2.44746396e-02)) + 4.52430314e-02 * tanh(-1.47542326e+01 * (x - 1.62746053e-01)) + 2.01855800e+01 * tanh(-2.46666302e+01 * (x - 1.12986136e+00)) + 2.01708039e-02 * tanh(-1.19900231e+01 * (x - 5.49773440e-01)) + 4.99616805e+01 * tanh(-6.11370883e+01 * (x + 4.69382558e-03))",
"language": "bpx",
"argument": "x"
},
"provenance_class": "fitted"
},
{
"parameter": "entropic_coefficient",
"expression": {
"text": "(-0.1112 * x + 0.02914 + 0.3561 * exp(-((x - 0.08309) ** 2) / 0.004616)) / 1000",
"language": "bpx",
"argument": "x"
},
"provenance_class": "fitted"
},
{
"parameter": "reaction_rate_constant",
"quantity": {
"value": 6.872e-06,
"unit": "mol.m-2.s-1"
},
"provenance_class": "fitted"
},
{
"parameter": "stoichiometry_min",
"quantity": {
"value": 0.0016261,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "stoichiometry_max",
"quantity": {
"value": 0.82258,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "max_concentration",
"quantity": {
"value": 31400,
"unit": "mol/m3"
},
"provenance_class": "fitted"
},
{
"parameter": "diffusivity_activation_energy",
"quantity": {
"value": 30000,
"unit": "J/mol"
},
"provenance_class": "fitted"
},
{
"parameter": "reaction_rate_activation_energy",
"quantity": {
"value": 55000,
"unit": "J/mol"
},
"provenance_class": "fitted"
}
]
},
{
"part": "negative_electrode",
"claims": [
{
"parameter": "thickness",
"quantity": {
"value": 4.44e-05,
"unit": "m"
},
"provenance_class": "fitted"
},
{
"parameter": "electronic_conductivity",
"quantity": {
"value": 7.46,
"unit": "S/m"
},
"provenance_class": "fitted"
},
{
"parameter": "surface_area_per_volume",
"quantity": {
"value": 473004,
"unit": "1/m"
},
"provenance_class": "fitted"
},
{
"parameter": "porosity",
"quantity": {
"value": 0.20666,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "transport_efficiency",
"quantity": {
"value": 0.09395,
"unit": "1"
},
"provenance_class": "fitted"
}
]
},
{
"part": "positive_material",
"material_kind": "lfp",
"claims": [
{
"parameter": "particle_radius",
"quantity": {
"value": 5e-07,
"unit": "m"
},
"provenance_class": "fitted"
},
{
"parameter": "solid_diffusivity",
"quantity": {
"value": 6.873e-17,
"unit": "m2/s"
},
"provenance_class": "fitted"
},
{
"parameter": "ocp",
"expression": {
"text": "3.41285712e+00 - 1.49721852e-02 * x + 3.54866018e+14 * exp(-3.95729493e+02 * x) - 1.45998465e+00 * exp(-1.10108622e+02 * (1 - x))",
"language": "bpx",
"argument": "x"
},
"provenance_class": "fitted"
},
{
"parameter": "entropic_coefficient",
"curve": {
"x_quantity": "stoichiometry",
"x": [
0,
0.05,
0.1,
0.15,
0.2,
0.25,
0.3,
0.35,
0.4,
0.45,
0.5,
0.55,
0.6,
0.65,
0.7,
0.75,
0.8,
0.85,
0.9,
0.95,
1
],
"y": [
0.0001,
4.7145e-05,
3.7666e-05,
2.0299e-05,
5.9833e-06,
-4.6859e-06,
-1.3966e-05,
-2.3528e-05,
-3.3593e-05,
-4.3433e-05,
-5.2311e-05,
-6.0211e-05,
-6.8006e-05,
-7.6939e-05,
-8.7641e-05,
-9.913e-05,
-0.00010855,
-0.00011266,
-0.00011238,
-0.00010921,
-0.00022539
],
"y_unit": "V/K"
},
"provenance_class": "fitted"
},
{
"parameter": "reaction_rate_constant",
"quantity": {
"value": 9.736e-07,
"unit": "mol.m-2.s-1"
},
"provenance_class": "fitted"
},
{
"parameter": "stoichiometry_min",
"quantity": {
"value": 0.0875,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "stoichiometry_max",
"quantity": {
"value": 0.95038,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "max_concentration",
"quantity": {
"value": 21200,
"unit": "mol/m3"
},
"provenance_class": "fitted"
},
{
"parameter": "diffusivity_activation_energy",
"quantity": {
"value": 80000,
"unit": "J/mol"
},
"provenance_class": "fitted"
},
{
"parameter": "reaction_rate_activation_energy",
"quantity": {
"value": 35000,
"unit": "J/mol"
},
"provenance_class": "fitted"
}
]
},
{
"part": "positive_electrode",
"claims": [
{
"parameter": "thickness",
"quantity": {
"value": 6.43e-05,
"unit": "m"
},
"provenance_class": "fitted"
},
{
"parameter": "electronic_conductivity",
"quantity": {
"value": 0.8,
"unit": "S/m"
},
"provenance_class": "fitted"
},
{
"parameter": "surface_area_per_volume",
"quantity": {
"value": 4418460,
"unit": "1/m"
},
"provenance_class": "fitted"
},
{
"parameter": "porosity",
"quantity": {
"value": 0.20359,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "transport_efficiency",
"quantity": {
"value": 0.09186,
"unit": "1"
},
"provenance_class": "fitted"
}
]
},
{
"part": "separator",
"claims": [
{
"parameter": "thickness",
"quantity": {
"value": 2e-05,
"unit": "m"
},
"provenance_class": "fitted"
},
{
"parameter": "porosity",
"quantity": {
"value": 0.47,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "transport_efficiency",
"quantity": {
"value": 0.3222,
"unit": "1"
},
"provenance_class": "fitted"
}
]
},
{
"part": "electrolyte",
"claims": [
{
"parameter": "transference_number",
"quantity": {
"value": 0.259,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "ionic_conductivity",
"expression": {
"text": "0.1297 * (x / 1000) ** 3 - 2.51 * (x / 1000) ** 1.5 + 3.329 * (x / 1000)",
"language": "bpx",
"argument": "x"
},
"provenance_class": "fitted"
},
{
"parameter": "electrolyte_diffusivity",
"expression": {
"text": "8.794e-11 * (x / 1000) ** 2 - 3.972e-10 * (x / 1000) + 4.862e-10",
"language": "bpx",
"argument": "x"
},
"provenance_class": "fitted"
},
{
"parameter": "conductivity_activation_energy",
"quantity": {
"value": 17100,
"unit": "J/mol"
},
"provenance_class": "fitted"
},
{
"parameter": "diffusivity_activation_energy",
"quantity": {
"value": 17100,
"unit": "J/mol"
},
"provenance_class": "fitted"
}
]
},
{
"part": "state",
"claims": [
{
"parameter": "initial_temperature",
"quantity": {
"value": 298.15,
"unit": "K"
}
},
{
"parameter": "initial_concentration",
"quantity": {
"value": 1000,
"unit": "mol/m3"
}
},
{
"parameter": "ambient_temperature",
"quantity": {
"value": 298.15,
"unit": "K"
}
}
]
}
],
"distributions": [
{
"type": "DataDownload",
"name": "lfp_18650_cell_BPX.json",
"role": "source",
"content_url": "https://raw.githubusercontent.com/FaradayInstitution/BPX/eb5da74588631ffee0e81f00746352a3f5ba5414/examples/lfp_18650_cell_BPX.json",
"encoding_format": "application/json",
"conforms_to": "BPX 0.1.0",
"byte_size": 5017,
"checksum": {
"algorithm": "sha256",
"value": "fd6d0c992a641c30edad7a76dd988fac1162434c7f8302961fc8f587da1f62a5"
},
"checks": [
{
"check": "bpx_parse",
"tool": "bpx 1.1.1",
"passed": true,
"detail": "Parser warnings: Detected a legacy BPX v0.x file/object; converting to the v1.x schema for backward compatibility. The conversion is approximate: the 'State' block is synthesised from the v0.x parameterisation (initial SOC set to 1, ambient and initial temperatures resolved from those provided, lumped thermal conductivity dropped). Optional v1.x fields that have no v0.x equivalent (e.g. initial hysteresis state and heat transfer coefficient) are omitted from the converted object rather than given a value here, so any tool that consumes it will apply its own defaults for them. Cross-version semantic changes are not corrected. Re-export from bpx>=1 to silence this warning, or pass convert_legacy=False to disable conversion.. Parsed by the official bpx parser.",
"checked_at": "2026-10-11"
}
]
}
],
"description": "LFP|graphite 2 Ah cylindrical 18650 cell. Parameterisation by About:Energy Limited (aboutenergy.io), December 2022, based on cell cycling data, and electrode data gathered after cell teardown. Electrolyte properties from Nyman et al. 2008 (doi:10.1016/j.electacta.2008.04.023). Negative electrode entropic coefficient data are from O'Regan et al. 2022 (doi:10.1016/j.electacta.2022.140700). Positive electrode entropic coefficient data are from Gerver and Meyers 2011 (doi:10.1149/1.3591799). Other thermal properties are estimated."
},
"provenance": {
"source_type": "literature",
"retrieved_at": 1791676800,
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"notes": [
"Imported from the FaradayInstitution/BPX examples (MIT licence, (c) 2022 University of Oxford)."
],
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"schema:name": "BPX LFP 18650 - separator",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "separator"
},
"hasProperty": [
{
"@type": [
"Thickness",
"ConventionalProperty"
],
"skos:prefLabel": "Thickness",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 2e-05
},
"hasMeasurementUnit": "https://w3id.org/emmo#Metre",
"schema:propertyID": "thickness",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"Porosity",
"ConventionalProperty"
],
"skos:prefLabel": "Porosity",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 0.47
},
"hasMeasurementUnit": "https://w3id.org/emmo#EMMO_5ebd5e01_0ed3_49a2_a30d_cd05cbe72978",
"schema:propertyID": "porosity",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"TransportEfficiency",
"ConventionalProperty"
],
"skos:prefLabel": "TransportEfficiency",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 0.3222
},
"hasMeasurementUnit": "https://w3id.org/emmo#EMMO_5ebd5e01_0ed3_49a2_a30d_cd05cbe72978",
"schema:propertyID": "transport_efficiency",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
]
},
{
"@type": "schema:Dataset",
"schema:name": "BPX LFP 18650 - electrolyte",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "electrolyte"
},
"hasProperty": [
{
"@type": [
"ChargeCarrierTransportNumber",
"ConventionalProperty"
],
"skos:prefLabel": "ChargeCarrierTransportNumber",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 0.259
},
"hasMeasurementUnit": "https://w3id.org/emmo#EMMO_5ebd5e01_0ed3_49a2_a30d_cd05cbe72978",
"schema:propertyID": "transference_number",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"ActivationEnergyOfElectrolyteConductivity",
"ConventionalProperty"
],
"skos:prefLabel": "ActivationEnergyOfElectrolyteConductivity",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 17100
},
"hasMeasurementUnit": "https://w3id.org/emmo#JoulePerMole",
"schema:propertyID": "conductivity_activation_energy",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"ActivationEnergy",
"ConventionalProperty"
],
"skos:prefLabel": "ActivationEnergy",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 17100
},
"hasMeasurementUnit": "https://w3id.org/emmo#JoulePerMole",
"schema:propertyID": "diffusivity_activation_energy",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
],
"schema:variableMeasured": [
{
"@type": "schema:PropertyValue",
"schema:name": "ionic_conductivity",
"schema:propertyID": "ionic_conductivity",
"schema:value": "0.1297 * (x / 1000) ** 3 - 2.51 * (x / 1000) ** 1.5 + 3.329 * (x / 1000)",
"schema:description": "expression (bpx)",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": "schema:PropertyValue",
"schema:name": "electrolyte_diffusivity",
"schema:propertyID": "electrolyte_diffusivity",
"schema:value": "8.794e-11 * (x / 1000) ** 2 - 3.972e-10 * (x / 1000) + 4.862e-10",
"schema:description": "expression (bpx)",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
]
},
{
"@type": "schema:Dataset",
"schema:name": "BPX LFP 18650 - initial and thermal state",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "state"
},
"hasProperty": [
{
"@type": [
"ThermodynamicTemperature",
"ConventionalProperty"
],
"skos:prefLabel": "ThermodynamicTemperature",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 298.15
},
"hasMeasurementUnit": "https://w3id.org/emmo#Kelvin",
"schema:propertyID": "initial_temperature"
},
{
"@type": [
"InitialChargeCarrierConcentrationInElectrolyte",
"ConventionalProperty"
],
"skos:prefLabel": "InitialChargeCarrierConcentrationInElectrolyte",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 1000
},
"hasMeasurementUnit": "https://w3id.org/emmo#MolePerCubicMetre",
"schema:propertyID": "initial_concentration"
},
{
"@type": [
"ConventionalProperty"
],
"skos:prefLabel": "ambient_temperature",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 298.15
},
"hasMeasurementUnit": "https://w3id.org/emmo#Kelvin",
"schema:propertyID": "ambient_temperature"
}
]
}
],
"schema:distribution": {
"@type": "schema:DataDownload",
"schema:contentUrl": "https://raw.githubusercontent.com/FaradayInstitution/BPX/eb5da74588631ffee0e81f00746352a3f5ba5414/examples/lfp_18650_cell_BPX.json",
"schema:name": "lfp_18650_cell_BPX.json",
"schema:encodingFormat": "application/json",
"dcterms:type": "source",
"dcterms:conformsTo": "BPX 0.1.0",
"dcat:byteSize": 5017,
"schema:sha256": "fd6d0c992a641c30edad7a76dd988fac1162434c7f8302961fc8f587da1f62a5",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "bpx_parse",
"schema:value": true,
"schema:description": "bpx 1.1.1 Parser warnings: Detected a legacy BPX v0.x file/object; converting to the v1.x schema for backward compatibility. The conversion is approximate: the 'State' block is synthesised from the v0.x parameterisation (initial SOC set to 1, ambient and initial temperatures resolved from those provided, lumped thermal conductivity dropped). Optional v1.x fields that have no v0.x equivalent (e.g. initial hysteresis state and heat transfer coefficient) are omitted from the converted object rather than given a value here, so any tool that consumes it will apply its own defaults for them. Cross-version semantic changes are not corrected. Re-export from bpx>=1 to silence this warning, or pass convert_legacy=False to disable conversion.. Parsed by the official bpx parser.",
"dcterms:date": "2026-10-11"
},
"schema:isPartOf": {
"@id": "https://w3id.org/battinfo/dataset/h7g7-5082-63jk-9wm3"
}
},
"schema:citation": {
"@id": "https://github.com/FaradayInstitution/BPX",
"@type": "schema:CreativeWork"
},
"schema:comment": "Imported from the FaradayInstitution/BPX examples (MIT licence, (c) 2022 University of Oxford).",
"dcterms:license": {
"@id": "https://spdx.org/licenses/MIT.html"
}
}
BPX NMC111 pouch SPM (parameter-set)
The record ships in the installed wheel — load it as a starting point:
import json
from importlib import resources
record = json.loads(
resources.files("battinfo")
.joinpath("data/examples/parameter-set/parameter-set-6bpa-4qet-046r-1zzk.json")
.read_text(encoding="utf-8")
)
{
"schema_version": "0.2.0",
"parameter_set": {
"id": "https://w3id.org/battinfo/dataset/6bpa-4qet-046r-1zzk",
"short_id": "6bpa4q",
"name": "BPX NMC111 pouch SPM",
"virtual_cell": true,
"parameters_sha256": "146b1f32a8b63a9be852b753a9770d49e6f59deb309cad00b783cfc9744710af",
"model_context": {
"tool": "BPX",
"name": "Test case: Single Particle Model (SPM) parameterisation example based on nmc_pouch_cell_BPX.json from About:Energy open-source release.",
"model": "SPM",
"version": "0.4.0",
"layout": "v0"
},
"parts": [
{
"part": "cell",
"claims": [
{
"parameter": "reference_temperature",
"quantity": {
"value": 298.15,
"unit": "K"
}
},
{
"parameter": "discharging_cutoff_voltage",
"quantity": {
"value": 2.7,
"unit": "V"
}
},
{
"parameter": "charging_cutoff_voltage",
"quantity": {
"value": 4.2,
"unit": "V"
}
},
{
"parameter": "nominal_capacity",
"quantity": {
"value": 12.5,
"unit": "Ah"
}
},
{
"parameter": "specific_heat_capacity",
"quantity": {
"value": 913,
"unit": "J/(kg.K)"
}
},
{
"parameter": "thermal_conductivity",
"quantity": {
"value": 2.04,
"unit": "W/(m.K)"
}
},
{
"parameter": "density",
"quantity": {
"value": 1847,
"unit": "kg/m3"
}
},
{
"parameter": "electrode_area",
"quantity": {
"value": 0.016808,
"unit": "m2"
}
},
{
"parameter": "electrode_pair_count",
"quantity": {
"value": 34,
"unit": "1"
}
},
{
"parameter": "external_surface_area",
"quantity": {
"value": 0.0379,
"unit": "m2"
}
},
{
"parameter": "volume",
"quantity": {
"value": 0.000128,
"unit": "m3"
}
}
]
},
{
"part": "negative_material",
"material_kind": "graphite",
"claims": [
{
"parameter": "particle_radius",
"quantity": {
"value": 4.12e-06,
"unit": "m"
},
"provenance_class": "fitted"
},
{
"parameter": "solid_diffusivity",
"quantity": {
"value": 2.728e-14,
"unit": "m2/s"
},
"provenance_class": "fitted"
},
{
"parameter": "ocp",
"expression": {
"text": "9.47057878e-01 * exp(-1.59418743e+02 * x) - 3.50928033e+04 + 1.64230269e-01 * tanh(-4.55509094e+01 * (x - 3.24116012e-02 )) + 3.69968491e-02 * tanh(-1.96718868e+01 * (x - 1.68334476e-01)) + 1.91517003e+04 * tanh(3.19648312e+00 * (x - 1.85139824e+00)) + 5.42448511e+04 * tanh(-3.19009848e+00 * (x - 2.01660395e+00))",
"language": "bpx",
"argument": "x"
},
"provenance_class": "fitted"
},
{
"parameter": "entropic_coefficient",
"expression": {
"text": "(-0.1112 * x + 0.02914 + 0.3561 * exp(-((x - 0.08309) ** 2) / 0.004616)) / 1000",
"language": "bpx",
"argument": "x"
},
"provenance_class": "fitted"
},
{
"parameter": "reaction_rate_constant",
"quantity": {
"value": 5.199e-06,
"unit": "mol.m-2.s-1"
},
"provenance_class": "fitted"
},
{
"parameter": "stoichiometry_min",
"quantity": {
"value": 0.005504,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "stoichiometry_max",
"quantity": {
"value": 0.75668,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "max_concentration",
"quantity": {
"value": 29730,
"unit": "mol/m3"
},
"provenance_class": "fitted"
},
{
"parameter": "diffusivity_activation_energy",
"quantity": {
"value": 30000,
"unit": "J/mol"
},
"provenance_class": "fitted"
},
{
"parameter": "reaction_rate_activation_energy",
"quantity": {
"value": 55000,
"unit": "J/mol"
},
"provenance_class": "fitted"
}
]
},
{
"part": "negative_electrode",
"claims": [
{
"parameter": "thickness",
"quantity": {
"value": 5.62e-05,
"unit": "m"
},
"provenance_class": "fitted"
},
{
"parameter": "surface_area_per_volume",
"quantity": {
"value": 499522,
"unit": "1/m"
},
"provenance_class": "fitted"
}
]
},
{
"part": "positive_material",
"material_kind": "nmc111",
"claims": [
{
"parameter": "particle_radius",
"quantity": {
"value": 4.6e-06,
"unit": "m"
},
"provenance_class": "fitted"
},
{
"parameter": "solid_diffusivity",
"quantity": {
"value": 3.2e-14,
"unit": "m2/s"
},
"provenance_class": "fitted"
},
{
"parameter": "ocp",
"expression": {
"text": "-3.04420906 * x + 10.04892207 - 0.65637536 * tanh(-4.02134095 * (x - 0.80063948)) + 4.24678547 * tanh(12.17805062 * (x - 7.57659337)) - 0.3757068 * tanh(59.33067782 * (x - 0.99784492))",
"language": "bpx",
"argument": "x"
},
"provenance_class": "fitted"
},
{
"parameter": "entropic_coefficient",
"quantity": {
"value": -0.0001,
"unit": "V/K"
},
"provenance_class": "fitted"
},
{
"parameter": "reaction_rate_constant",
"quantity": {
"value": 2.305e-05,
"unit": "mol.m-2.s-1"
},
"provenance_class": "fitted"
},
{
"parameter": "stoichiometry_min",
"quantity": {
"value": 0.42424,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "stoichiometry_max",
"quantity": {
"value": 0.9621,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "max_concentration",
"quantity": {
"value": 46200,
"unit": "mol/m3"
},
"provenance_class": "fitted"
},
{
"parameter": "diffusivity_activation_energy",
"quantity": {
"value": 15000,
"unit": "J/mol"
},
"provenance_class": "fitted"
},
{
"parameter": "reaction_rate_activation_energy",
"quantity": {
"value": 35000,
"unit": "J/mol"
},
"provenance_class": "fitted"
}
]
},
{
"part": "positive_electrode",
"claims": [
{
"parameter": "thickness",
"quantity": {
"value": 5.23e-05,
"unit": "m"
},
"provenance_class": "fitted"
},
{
"parameter": "surface_area_per_volume",
"quantity": {
"value": 432072,
"unit": "1/m"
},
"provenance_class": "fitted"
}
]
},
{
"part": "state",
"claims": [
{
"parameter": "initial_temperature",
"quantity": {
"value": 298.15,
"unit": "K"
}
},
{
"parameter": "ambient_temperature",
"quantity": {
"value": 298.15,
"unit": "K"
}
}
]
}
],
"not_imported": [
"Validation"
],
"distributions": [
{
"type": "DataDownload",
"name": "nmc_pouch_cell_BPX_SPM.json",
"role": "source",
"content_url": "https://raw.githubusercontent.com/FaradayInstitution/BPX/eb5da74588631ffee0e81f00746352a3f5ba5414/examples/nmc_pouch_cell_BPX_SPM.json",
"encoding_format": "application/json",
"conforms_to": "BPX 0.4.0",
"byte_size": 7846,
"checksum": {
"algorithm": "sha256",
"value": "bc82abe486ea83386a13b867bd4fac81a661a339e6b97e6028c6d4ea2583c7af"
},
"checks": [
{
"check": "bpx_parse",
"tool": "bpx 1.1.1",
"passed": true,
"detail": "Parser warnings: Detected a legacy BPX v0.x file/object; converting to the v1.x schema for backward compatibility. The conversion is approximate: the 'State' block is synthesised from the v0.x parameterisation (initial SOC set to 1, ambient and initial temperatures resolved from those provided, lumped thermal conductivity dropped). Optional v1.x fields that have no v0.x equivalent (e.g. initial hysteresis state and heat transfer coefficient) are omitted from the converted object rather than given a value here, so any tool that consumes it will apply its own defaults for them. Cross-version semantic changes are not corrected. Re-export from bpx>=1 to silence this warning, or pass convert_legacy=False to disable conversion. | The maximum voltage computed from the STO limits (4.201761488607647 V) is higher than the upper voltage cut-off (4.2 V) with the absolute tolerance v_tol = 0.001 V. Parsed by the official bpx parser.",
"checked_at": "2026-10-11"
}
]
}
],
"description": "NMC111|graphite 12.5 Ah pouch cell. Parameterisation by About:Energy Limited (aboutenergy.io), December 2022, based on cell cycling data, and electrode data gathered after cell teardown. Negative electrode entropic coefficient data are from O'Regan et al. 2022 (doi:10.1016/j.electacta.2022.140700). Positive electrode entropic coefficient data are from Viswanathan et al. 2010 (doi:10.1016/j.jpowsour.2009.11.103). Other thermal properties are estimated."
},
"provenance": {
"source_type": "literature",
"retrieved_at": 1791676800,
"battinfo_version": "0.7.0",
"source_url": "https://github.com/FaradayInstitution/BPX/blob/eb5da74588631ffee0e81f00746352a3f5ba5414/examples/nmc_pouch_cell_BPX_SPM.json",
"citation": "https://github.com/FaradayInstitution/BPX"
},
"notes": [
"Imported from the FaradayInstitution/BPX examples (MIT licence, (c) 2022 University of Oxford)."
],
"license": "mit"
}
Emitted by record_to_jsonld, hosted-context mode.
{
"@context": "https://w3id.org/battinfo/context/records/v1.json",
"@id": "https://w3id.org/battinfo/dataset/6bpa-4qet-046r-1zzk",
"@type": "schema:Dataset",
"schema:name": "BPX NMC111 pouch SPM",
"schema:description": "NMC111|graphite 12.5 Ah pouch cell. Parameterisation by About:Energy Limited (aboutenergy.io), December 2022, based on cell cycling data, and electrode data gathered after cell teardown. Negative electrode entropic coefficient data are from O'Regan et al. 2022 (doi:10.1016/j.electacta.2022.140700). Positive electrode entropic coefficient data are from Viswanathan et al. 2010 (doi:10.1016/j.jpowsour.2009.11.103). Other thermal properties are estimated.",
"schema:identifier": {
"@type": "schema:PropertyValue",
"schema:propertyID": "parameters-sha256-rfc8785",
"schema:value": "146b1f32a8b63a9be852b753a9770d49e6f59deb309cad00b783cfc9744710af"
},
"schema:additionalProperty": [
{
"@type": "schema:PropertyValue",
"schema:name": "virtual_cell",
"schema:value": true
},
{
"@type": "schema:PropertyValue",
"schema:name": "source_layout",
"schema:value": "v0"
},
{
"@type": "schema:PropertyValue",
"schema:name": "source_model",
"schema:value": "SPM"
},
{
"@type": "schema:PropertyValue",
"schema:name": "source_name",
"schema:value": "Test case: Single Particle Model (SPM) parameterisation example based on nmc_pouch_cell_BPX.json from About:Energy open-source release."
},
{
"@type": "schema:PropertyValue",
"schema:name": "source_tool",
"schema:value": "BPX"
},
{
"@type": "schema:PropertyValue",
"schema:name": "source_version",
"schema:value": "0.4.0"
},
{
"@type": "schema:PropertyValue",
"schema:name": "not_imported",
"schema:value": "Validation",
"schema:description": "Values of the source file that this record does not hold, by their path in the file; the source file under schema:distribution is the complete copy."
}
],
"schema:hasPart": [
{
"@type": "schema:Dataset",
"schema:name": "BPX NMC111 pouch SPM - cell",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "cell"
},
"hasProperty": [
{
"@type": [
"ThermodynamicTemperature",
"ConventionalProperty"
],
"skos:prefLabel": "ThermodynamicTemperature",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 298.15
},
"hasMeasurementUnit": "https://w3id.org/emmo#Kelvin",
"schema:propertyID": "reference_temperature"
},
{
"@type": [
"LowerVoltageLimit",
"ConventionalProperty"
],
"skos:prefLabel": "LowerVoltageLimit",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 2.7
},
"hasMeasurementUnit": "https://w3id.org/emmo#Volt",
"schema:propertyID": "discharging_cutoff_voltage"
},
{
"@type": [
"UpperVoltageLimit",
"ConventionalProperty"
],
"skos:prefLabel": "UpperVoltageLimit",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 4.2
},
"hasMeasurementUnit": "https://w3id.org/emmo#Volt",
"schema:propertyID": "charging_cutoff_voltage"
},
{
"@type": [
"NominalCapacity",
"ConventionalProperty"
],
"skos:prefLabel": "NominalCapacity",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 12.5
},
"hasMeasurementUnit": "https://w3id.org/emmo#AmpereHour",
"schema:propertyID": "nominal_capacity"
},
{
"@type": [
"SpecificHeatCapacity",
"ConventionalProperty"
],
"skos:prefLabel": "SpecificHeatCapacity",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 913
},
"hasMeasurementUnit": "https://w3id.org/emmo#JoulePerKilogramKelvin",
"schema:propertyID": "specific_heat_capacity"
},
{
"@type": [
"ThermalConductivity",
"ConventionalProperty"
],
"skos:prefLabel": "ThermalConductivity",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 2.04
},
"hasMeasurementUnit": "https://w3id.org/emmo#WattPerMetreKelvin",
"schema:propertyID": "thermal_conductivity"
},
{
"@type": [
"Density",
"ConventionalProperty"
],
"skos:prefLabel": "Density",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 1847
},
"hasMeasurementUnit": "https://w3id.org/emmo#KilogramPerCubicMetre",
"schema:propertyID": "density"
},
{
"@type": [
"Area",
"ConventionalProperty"
],
"skos:prefLabel": "Area",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 0.016808
},
"hasMeasurementUnit": "https://w3id.org/emmo#SquareMetre",
"schema:propertyID": "electrode_area"
},
{
"@type": [
"NumberOfElectrodePairs",
"ConventionalProperty"
],
"skos:prefLabel": "NumberOfElectrodePairs",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 34
},
"hasMeasurementUnit": "https://w3id.org/emmo#EMMO_5ebd5e01_0ed3_49a2_a30d_cd05cbe72978",
"schema:propertyID": "electrode_pair_count"
},
{
"@type": [
"Area",
"ConventionalProperty"
],
"skos:prefLabel": "Area",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 0.0379
},
"hasMeasurementUnit": "https://w3id.org/emmo#SquareMetre",
"schema:propertyID": "external_surface_area"
},
{
"@type": [
"Volume",
"ConventionalProperty"
],
"skos:prefLabel": "Volume",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 0.000128
},
"hasMeasurementUnit": "https://w3id.org/emmo#CubicMetre",
"schema:propertyID": "volume"
}
]
},
{
"@type": "schema:Dataset",
"schema:name": "BPX NMC111 pouch SPM - negative electrode material",
"schema:about": {
"@type": "Graphite",
"@id": "https://w3id.org/emmo/domain/chemical-substance#substance_d53259a7_0d9c_48b9_a6c1_4418169df303",
"schema:name": "Graphite"
},
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "negative_material"
},
"hasProperty": [
{
"@type": [
"ParticleRadius",
"ConventionalProperty"
],
"skos:prefLabel": "ParticleRadius",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 4.12e-06
},
"hasMeasurementUnit": "https://w3id.org/emmo#Metre",
"schema:propertyID": "particle_radius",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"GuestDiffusivity",
"ConventionalProperty"
],
"skos:prefLabel": "GuestDiffusivity",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 2.728e-14
},
"hasMeasurementUnit": "https://w3id.org/emmo#SquareMetrePerSecond",
"schema:propertyID": "solid_diffusivity",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"ReactionRateConstant",
"ConventionalProperty"
],
"skos:prefLabel": "ReactionRateConstant",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 5.199e-06
},
"hasMeasurementUnit": "https://w3id.org/emmo#MolePerSquareMetrePerSecond",
"schema:propertyID": "reaction_rate_constant",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"MinimumStoichiometricCoefficient",
"ConventionalProperty"
],
"skos:prefLabel": "MinimumStoichiometricCoefficient",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 0.005504
},
"hasMeasurementUnit": "https://w3id.org/emmo#EMMO_5ebd5e01_0ed3_49a2_a30d_cd05cbe72978",
"schema:propertyID": "stoichiometry_min",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"MaximumStoichiometricCoefficient",
"ConventionalProperty"
],
"skos:prefLabel": "MaximumStoichiometricCoefficient",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 0.75668
},
"hasMeasurementUnit": "https://w3id.org/emmo#EMMO_5ebd5e01_0ed3_49a2_a30d_cd05cbe72978",
"schema:propertyID": "stoichiometry_max",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"MaximumConcentration",
"ConventionalProperty"
],
"skos:prefLabel": "MaximumConcentration",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 29730
},
"hasMeasurementUnit": "https://w3id.org/emmo#MolePerCubicMetre",
"schema:propertyID": "max_concentration",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"ActivationEnergy",
"ConventionalProperty"
],
"skos:prefLabel": "ActivationEnergy",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 30000
},
"hasMeasurementUnit": "https://w3id.org/emmo#JoulePerMole",
"schema:propertyID": "diffusivity_activation_energy",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"ActivationEnergy",
"ConventionalProperty"
],
"skos:prefLabel": "ActivationEnergy",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 55000
},
"hasMeasurementUnit": "https://w3id.org/emmo#JoulePerMole",
"schema:propertyID": "reaction_rate_activation_energy",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
],
"schema:variableMeasured": [
{
"@type": "schema:PropertyValue",
"schema:name": "ocp",
"schema:propertyID": "ocp",
"schema:value": "9.47057878e-01 * exp(-1.59418743e+02 * x) - 3.50928033e+04 + 1.64230269e-01 * tanh(-4.55509094e+01 * (x - 3.24116012e-02 )) + 3.69968491e-02 * tanh(-1.96718868e+01 * (x - 1.68334476e-01)) + 1.91517003e+04 * tanh(3.19648312e+00 * (x - 1.85139824e+00)) + 5.42448511e+04 * tanh(-3.19009848e+00 * (x - 2.01660395e+00))",
"schema:description": "expression (bpx)",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": "schema:PropertyValue",
"schema:name": "entropic_coefficient",
"schema:propertyID": "entropic_coefficient",
"schema:value": "(-0.1112 * x + 0.02914 + 0.3561 * exp(-((x - 0.08309) ** 2) / 0.004616)) / 1000",
"schema:description": "expression (bpx)",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
]
},
{
"@type": "schema:Dataset",
"schema:name": "BPX NMC111 pouch SPM - negative electrode",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "negative_electrode"
},
"hasProperty": [
{
"@type": [
"Thickness",
"ConventionalProperty"
],
"skos:prefLabel": "Thickness",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 5.62e-05
},
"hasMeasurementUnit": "https://w3id.org/emmo#Metre",
"schema:propertyID": "thickness",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"VolumetricSurfaceArea",
"ConventionalProperty"
],
"skos:prefLabel": "VolumetricSurfaceArea",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 499522
},
"hasMeasurementUnit": "https://w3id.org/emmo#PerMetre",
"schema:propertyID": "surface_area_per_volume",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
]
},
{
"@type": "schema:Dataset",
"schema:name": "BPX NMC111 pouch SPM - positive electrode material",
"schema:about": {
"@type": "LithiumNickelManganeseCobaltOxide111",
"@id": "https://w3id.org/emmo/domain/chemical-substance#substance_a0b57956_8ba1_4021_ade9_44a87d103d90",
"schema:name": "NMC111 (LiNi1/3Mn1/3Co1/3O2)"
},
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "positive_material"
},
"hasProperty": [
{
"@type": [
"ParticleRadius",
"ConventionalProperty"
],
"skos:prefLabel": "ParticleRadius",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 4.6e-06
},
"hasMeasurementUnit": "https://w3id.org/emmo#Metre",
"schema:propertyID": "particle_radius",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"GuestDiffusivity",
"ConventionalProperty"
],
"skos:prefLabel": "GuestDiffusivity",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 3.2e-14
},
"hasMeasurementUnit": "https://w3id.org/emmo#SquareMetrePerSecond",
"schema:propertyID": "solid_diffusivity",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"TemperatureCoefficientOfTheOpenCircuitPotential",
"ConventionalProperty"
],
"skos:prefLabel": "TemperatureCoefficientOfTheOpenCircuitPotential",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": -0.0001
},
"hasMeasurementUnit": "https://w3id.org/emmo#VoltPerKelvin",
"schema:propertyID": "entropic_coefficient",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"ReactionRateConstant",
"ConventionalProperty"
],
"skos:prefLabel": "ReactionRateConstant",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 2.305e-05
},
"hasMeasurementUnit": "https://w3id.org/emmo#MolePerSquareMetrePerSecond",
"schema:propertyID": "reaction_rate_constant",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"MinimumStoichiometricCoefficient",
"ConventionalProperty"
],
"skos:prefLabel": "MinimumStoichiometricCoefficient",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 0.42424
},
"hasMeasurementUnit": "https://w3id.org/emmo#EMMO_5ebd5e01_0ed3_49a2_a30d_cd05cbe72978",
"schema:propertyID": "stoichiometry_min",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"MaximumStoichiometricCoefficient",
"ConventionalProperty"
],
"skos:prefLabel": "MaximumStoichiometricCoefficient",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 0.9621
},
"hasMeasurementUnit": "https://w3id.org/emmo#EMMO_5ebd5e01_0ed3_49a2_a30d_cd05cbe72978",
"schema:propertyID": "stoichiometry_max",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"MaximumConcentration",
"ConventionalProperty"
],
"skos:prefLabel": "MaximumConcentration",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 46200
},
"hasMeasurementUnit": "https://w3id.org/emmo#MolePerCubicMetre",
"schema:propertyID": "max_concentration",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"ActivationEnergy",
"ConventionalProperty"
],
"skos:prefLabel": "ActivationEnergy",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 15000
},
"hasMeasurementUnit": "https://w3id.org/emmo#JoulePerMole",
"schema:propertyID": "diffusivity_activation_energy",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"ActivationEnergy",
"ConventionalProperty"
],
"skos:prefLabel": "ActivationEnergy",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 35000
},
"hasMeasurementUnit": "https://w3id.org/emmo#JoulePerMole",
"schema:propertyID": "reaction_rate_activation_energy",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
],
"schema:variableMeasured": {
"@type": "schema:PropertyValue",
"schema:name": "ocp",
"schema:propertyID": "ocp",
"schema:value": "-3.04420906 * x + 10.04892207 - 0.65637536 * tanh(-4.02134095 * (x - 0.80063948)) + 4.24678547 * tanh(12.17805062 * (x - 7.57659337)) - 0.3757068 * tanh(59.33067782 * (x - 0.99784492))",
"schema:description": "expression (bpx)",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
},
{
"@type": "schema:Dataset",
"schema:name": "BPX NMC111 pouch SPM - positive electrode",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "positive_electrode"
},
"hasProperty": [
{
"@type": [
"Thickness",
"ConventionalProperty"
],
"skos:prefLabel": "Thickness",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 5.23e-05
},
"hasMeasurementUnit": "https://w3id.org/emmo#Metre",
"schema:propertyID": "thickness",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"VolumetricSurfaceArea",
"ConventionalProperty"
],
"skos:prefLabel": "VolumetricSurfaceArea",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 432072
},
"hasMeasurementUnit": "https://w3id.org/emmo#PerMetre",
"schema:propertyID": "surface_area_per_volume",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
]
},
{
"@type": "schema:Dataset",
"schema:name": "BPX NMC111 pouch SPM - initial and thermal state",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "state"
},
"hasProperty": [
{
"@type": [
"ThermodynamicTemperature",
"ConventionalProperty"
],
"skos:prefLabel": "ThermodynamicTemperature",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 298.15
},
"hasMeasurementUnit": "https://w3id.org/emmo#Kelvin",
"schema:propertyID": "initial_temperature"
},
{
"@type": [
"ConventionalProperty"
],
"skos:prefLabel": "ambient_temperature",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 298.15
},
"hasMeasurementUnit": "https://w3id.org/emmo#Kelvin",
"schema:propertyID": "ambient_temperature"
}
]
}
],
"schema:distribution": {
"@type": "schema:DataDownload",
"schema:contentUrl": "https://raw.githubusercontent.com/FaradayInstitution/BPX/eb5da74588631ffee0e81f00746352a3f5ba5414/examples/nmc_pouch_cell_BPX_SPM.json",
"schema:name": "nmc_pouch_cell_BPX_SPM.json",
"schema:encodingFormat": "application/json",
"dcterms:type": "source",
"dcterms:conformsTo": "BPX 0.4.0",
"dcat:byteSize": 7846,
"schema:sha256": "bc82abe486ea83386a13b867bd4fac81a661a339e6b97e6028c6d4ea2583c7af",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "bpx_parse",
"schema:value": true,
"schema:description": "bpx 1.1.1 Parser warnings: Detected a legacy BPX v0.x file/object; converting to the v1.x schema for backward compatibility. The conversion is approximate: the 'State' block is synthesised from the v0.x parameterisation (initial SOC set to 1, ambient and initial temperatures resolved from those provided, lumped thermal conductivity dropped). Optional v1.x fields that have no v0.x equivalent (e.g. initial hysteresis state and heat transfer coefficient) are omitted from the converted object rather than given a value here, so any tool that consumes it will apply its own defaults for them. Cross-version semantic changes are not corrected. Re-export from bpx>=1 to silence this warning, or pass convert_legacy=False to disable conversion. | The maximum voltage computed from the STO limits (4.201761488607647 V) is higher than the upper voltage cut-off (4.2 V) with the absolute tolerance v_tol = 0.001 V. Parsed by the official bpx parser.",
"dcterms:date": "2026-10-11"
},
"schema:isPartOf": {
"@id": "https://w3id.org/battinfo/dataset/6bpa-4qet-046r-1zzk"
}
},
"schema:citation": {
"@id": "https://github.com/FaradayInstitution/BPX",
"@type": "schema:CreativeWork"
},
"schema:comment": "Imported from the FaradayInstitution/BPX examples (MIT licence, (c) 2022 University of Oxford).",
"dcterms:license": {
"@id": "https://spdx.org/licenses/MIT.html"
}
}
BPX NMC111 pouch blended (parameter-set)
The record ships in the installed wheel — load it as a starting point:
import json
from importlib import resources
record = json.loads(
resources.files("battinfo")
.joinpath("data/examples/parameter-set/parameter-set-dpj6-1j9x-eetd-gs81.json")
.read_text(encoding="utf-8")
)
{
"schema_version": "0.2.0",
"parameter_set": {
"id": "https://w3id.org/battinfo/dataset/dpj6-1j9x-eetd-gs81",
"short_id": "dpj61j",
"name": "BPX NMC111 pouch blended",
"virtual_cell": true,
"parameters_sha256": "fcc7c98a2a9b665a256984d21b0b5fa1dbfa84430d0b5c1d957946373155a084",
"model_context": {
"tool": "BPX",
"name": "Test case: blended electrode definition with two particle sizes but equivalent chemistry. Compare to nmc_pouch_cell_BPX.json in About:Energy open-source release.",
"model": "DFN",
"version": "0.4.0",
"layout": "v0"
},
"parts": [
{
"part": "cell",
"claims": [
{
"parameter": "reference_temperature",
"quantity": {
"value": 298.15,
"unit": "K"
}
},
{
"parameter": "discharging_cutoff_voltage",
"quantity": {
"value": 2.7,
"unit": "V"
}
},
{
"parameter": "charging_cutoff_voltage",
"quantity": {
"value": 4.2,
"unit": "V"
}
},
{
"parameter": "nominal_capacity",
"quantity": {
"value": 12.5,
"unit": "Ah"
}
},
{
"parameter": "specific_heat_capacity",
"quantity": {
"value": 913,
"unit": "J/(kg.K)"
}
},
{
"parameter": "thermal_conductivity",
"quantity": {
"value": 2.04,
"unit": "W/(m.K)"
}
},
{
"parameter": "density",
"quantity": {
"value": 1847,
"unit": "kg/m3"
}
},
{
"parameter": "electrode_area",
"quantity": {
"value": 0.016808,
"unit": "m2"
}
},
{
"parameter": "electrode_pair_count",
"quantity": {
"value": 34,
"unit": "1"
}
},
{
"parameter": "external_surface_area",
"quantity": {
"value": 0.0379,
"unit": "m2"
}
},
{
"parameter": "volume",
"quantity": {
"value": 0.000128,
"unit": "m3"
}
}
]
},
{
"part": "negative_material",
"material_kind": "graphite",
"claims": [
{
"parameter": "particle_radius",
"quantity": {
"value": 4.12e-06,
"unit": "m"
},
"provenance_class": "fitted"
},
{
"parameter": "solid_diffusivity",
"quantity": {
"value": 2.728e-14,
"unit": "m2/s"
},
"provenance_class": "fitted"
},
{
"parameter": "ocp",
"expression": {
"text": "9.47057878e-01 * exp(-1.59418743e+02 * x) - 3.50928033e+04 + 1.64230269e-01 * tanh(-4.55509094e+01 * (x - 3.24116012e-02 )) + 3.69968491e-02 * tanh(-1.96718868e+01 * (x - 1.68334476e-01)) + 1.91517003e+04 * tanh(3.19648312e+00 * (x - 1.85139824e+00)) + 5.42448511e+04 * tanh(-3.19009848e+00 * (x - 2.01660395e+00))",
"language": "bpx",
"argument": "x"
},
"provenance_class": "fitted"
},
{
"parameter": "entropic_coefficient",
"expression": {
"text": "(-0.1112 * x + 0.02914 + 0.3561 * exp(-((x - 0.08309) ** 2) / 0.004616)) / 1000",
"language": "bpx",
"argument": "x"
},
"provenance_class": "fitted"
},
{
"parameter": "reaction_rate_constant",
"quantity": {
"value": 5.199e-06,
"unit": "mol.m-2.s-1"
},
"provenance_class": "fitted"
},
{
"parameter": "stoichiometry_min",
"quantity": {
"value": 0.005504,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "stoichiometry_max",
"quantity": {
"value": 0.75668,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "max_concentration",
"quantity": {
"value": 29730,
"unit": "mol/m3"
},
"provenance_class": "fitted"
},
{
"parameter": "diffusivity_activation_energy",
"quantity": {
"value": 30000,
"unit": "J/mol"
},
"provenance_class": "fitted"
},
{
"parameter": "reaction_rate_activation_energy",
"quantity": {
"value": 55000,
"unit": "J/mol"
},
"provenance_class": "fitted"
}
]
},
{
"part": "negative_electrode",
"claims": [
{
"parameter": "thickness",
"quantity": {
"value": 5.62e-05,
"unit": "m"
},
"provenance_class": "fitted"
},
{
"parameter": "electronic_conductivity",
"quantity": {
"value": 0.222,
"unit": "S/m"
},
"provenance_class": "fitted"
},
{
"parameter": "surface_area_per_volume",
"quantity": {
"value": 499522,
"unit": "1/m"
},
"provenance_class": "fitted"
},
{
"parameter": "porosity",
"quantity": {
"value": 0.253991,
"unit": "1"
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}
]
},
{
"@type": "schema:Dataset",
"schema:name": "BPX NMC111 pouch blended - electrolyte",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "electrolyte"
},
"hasProperty": [
{
"@type": [
"ChargeCarrierTransportNumber",
"ConventionalProperty"
],
"skos:prefLabel": "ChargeCarrierTransportNumber",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 0.2594
},
"hasMeasurementUnit": "https://w3id.org/emmo#EMMO_5ebd5e01_0ed3_49a2_a30d_cd05cbe72978",
"schema:propertyID": "transference_number",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"ActivationEnergyOfElectrolyteConductivity",
"ConventionalProperty"
],
"skos:prefLabel": "ActivationEnergyOfElectrolyteConductivity",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 17100
},
"hasMeasurementUnit": "https://w3id.org/emmo#JoulePerMole",
"schema:propertyID": "conductivity_activation_energy",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": [
"ActivationEnergy",
"ConventionalProperty"
],
"skos:prefLabel": "ActivationEnergy",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 17100
},
"hasMeasurementUnit": "https://w3id.org/emmo#JoulePerMole",
"schema:propertyID": "diffusivity_activation_energy",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
],
"schema:variableMeasured": [
{
"@type": "schema:PropertyValue",
"schema:name": "ionic_conductivity",
"schema:propertyID": "ionic_conductivity",
"schema:value": "0.1297 * (x / 1000) ** 3 - 2.51 * (x / 1000) ** 1.5 + 3.329 * (x / 1000)",
"schema:description": "expression (bpx)",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": "schema:PropertyValue",
"schema:name": "electrolyte_diffusivity",
"schema:propertyID": "electrolyte_diffusivity",
"schema:value": "8.794e-11 * (x / 1000) ** 2 - 3.972e-10 * (x / 1000) + 4.862e-10",
"schema:description": "expression (bpx)",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
]
},
{
"@type": "schema:Dataset",
"schema:name": "BPX NMC111 pouch blended - initial and thermal state",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "state"
},
"hasProperty": [
{
"@type": [
"ThermodynamicTemperature",
"ConventionalProperty"
],
"skos:prefLabel": "ThermodynamicTemperature",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 298.15
},
"hasMeasurementUnit": "https://w3id.org/emmo#Kelvin",
"schema:propertyID": "initial_temperature"
},
{
"@type": [
"InitialChargeCarrierConcentrationInElectrolyte",
"ConventionalProperty"
],
"skos:prefLabel": "InitialChargeCarrierConcentrationInElectrolyte",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 1000
},
"hasMeasurementUnit": "https://w3id.org/emmo#MolePerCubicMetre",
"schema:propertyID": "initial_concentration"
},
{
"@type": [
"ConventionalProperty"
],
"skos:prefLabel": "ambient_temperature",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 298.15
},
"hasMeasurementUnit": "https://w3id.org/emmo#Kelvin",
"schema:propertyID": "ambient_temperature"
}
]
}
],
"schema:distribution": {
"@type": "schema:DataDownload",
"schema:contentUrl": "https://raw.githubusercontent.com/FaradayInstitution/BPX/eb5da74588631ffee0e81f00746352a3f5ba5414/examples/nmc_pouch_cell_BPX_blended_electrode.json",
"schema:name": "nmc_pouch_cell_BPX_blended_electrode.json",
"schema:encodingFormat": "application/json",
"dcterms:type": "source",
"dcterms:conformsTo": "BPX 0.4.0",
"dcat:byteSize": 5385,
"schema:sha256": "10e0ab624b7394e106c1218065155d90dedae960506b4d6e7fa87da3ff288118",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "bpx_parse",
"schema:value": true,
"schema:description": "bpx 1.1.1 Parser warnings: Detected a legacy BPX v0.x file/object; converting to the v1.x schema for backward compatibility. The conversion is approximate: the 'State' block is synthesised from the v0.x parameterisation (initial SOC set to 1, ambient and initial temperatures resolved from those provided, lumped thermal conductivity dropped). Optional v1.x fields that have no v0.x equivalent (e.g. initial hysteresis state and heat transfer coefficient) are omitted from the converted object rather than given a value here, so any tool that consumes it will apply its own defaults for them. Cross-version semantic changes are not corrected. Re-export from bpx>=1 to silence this warning, or pass convert_legacy=False to disable conversion.. Parsed by the official bpx parser.",
"dcterms:date": "2026-10-11"
},
"schema:isPartOf": {
"@id": "https://w3id.org/battinfo/dataset/dpj6-1j9x-eetd-gs81"
}
},
"schema:citation": {
"@id": "https://github.com/FaradayInstitution/BPX",
"@type": "schema:CreativeWork"
},
"schema:comment": "Imported from the FaradayInstitution/BPX examples (MIT licence, (c) 2022 University of Oxford).",
"dcterms:license": {
"@id": "https://spdx.org/licenses/MIT.html"
}
}
BPX NMC111-Si pouch hysteresis (parameter-set)
The record ships in the installed wheel — load it as a starting point:
import json
from importlib import resources
record = json.loads(
resources.files("battinfo")
.joinpath("data/examples/parameter-set/parameter-set-xms6-5z2m-gpsz-nzy9.json")
.read_text(encoding="utf-8")
)
{
"schema_version": "0.2.0",
"parameter_set": {
"id": "https://w3id.org/battinfo/dataset/xms6-5z2m-gpsz-nzy9",
"short_id": "xms65z",
"name": "BPX NMC111-Si pouch hysteresis",
"virtual_cell": true,
"parameters_sha256": "c19a385e1a02df4b3dbea88203f5f463108ed7ccb647b850d92f7c224bbc3989",
"model_context": {
"tool": "BPX",
"name": "Test case: user-defined 0th-order hysteresis for graphite-Si blend in negative electrode. Compare to nmc_pouch_cell_BPX.json in About:Energy open-source release.",
"model": "DFN",
"version": "0.4.0",
"layout": "v0"
},
"parts": [
{
"part": "cell",
"claims": [
{
"parameter": "reference_temperature",
"quantity": {
"value": 298.15,
"unit": "K"
}
},
{
"parameter": "discharging_cutoff_voltage",
"quantity": {
"value": 2.7,
"unit": "V"
}
},
{
"parameter": "charging_cutoff_voltage",
"quantity": {
"value": 4.2,
"unit": "V"
}
},
{
"parameter": "nominal_capacity",
"quantity": {
"value": 12.5,
"unit": "Ah"
}
},
{
"parameter": "specific_heat_capacity",
"quantity": {
"value": 913,
"unit": "J/(kg.K)"
}
},
{
"parameter": "thermal_conductivity",
"quantity": {
"value": 2.04,
"unit": "W/(m.K)"
}
},
{
"parameter": "density",
"quantity": {
"value": 1847,
"unit": "kg/m3"
}
},
{
"parameter": "electrode_area",
"quantity": {
"value": 0.016808,
"unit": "m2"
}
},
{
"parameter": "electrode_pair_count",
"quantity": {
"value": 34,
"unit": "1"
}
},
{
"parameter": "external_surface_area",
"quantity": {
"value": 0.0379,
"unit": "m2"
}
},
{
"parameter": "volume",
"quantity": {
"value": 0.000128,
"unit": "m3"
}
}
]
},
{
"part": "negative_material",
"material_kind": "silicon_graphite",
"claims": [
{
"parameter": "particle_radius",
"quantity": {
"value": 4.12e-06,
"unit": "m"
},
"provenance_class": "fitted"
},
{
"parameter": "solid_diffusivity",
"quantity": {
"value": 2.728e-14,
"unit": "m2/s"
},
"provenance_class": "fitted"
},
{
"parameter": "ocp",
"quantity": {
"value": 0,
"unit": "V"
},
"provenance_class": "fitted"
},
{
"parameter": "entropic_coefficient",
"expression": {
"text": "(-0.1112 * x + 0.02914 + 0.3561 * exp(-((x - 0.08309) ** 2) / 0.004616)) / 1000",
"language": "bpx",
"argument": "x"
},
"provenance_class": "fitted"
},
{
"parameter": "reaction_rate_constant",
"quantity": {
"value": 5.199e-06,
"unit": "mol.m-2.s-1"
},
"provenance_class": "fitted"
},
{
"parameter": "stoichiometry_min",
"quantity": {
"value": 0.005504,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "stoichiometry_max",
"quantity": {
"value": 0.75668,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "max_concentration",
"quantity": {
"value": 29730,
"unit": "mol/m3"
},
"provenance_class": "fitted"
},
{
"parameter": "diffusivity_activation_energy",
"quantity": {
"value": 30000,
"unit": "J/mol"
},
"provenance_class": "fitted"
},
{
"parameter": "reaction_rate_activation_energy",
"quantity": {
"value": 55000,
"unit": "J/mol"
},
"provenance_class": "fitted"
}
]
},
{
"part": "negative_electrode",
"claims": [
{
"parameter": "thickness",
"quantity": {
"value": 5.62e-05,
"unit": "m"
},
"provenance_class": "fitted"
},
{
"parameter": "electronic_conductivity",
"quantity": {
"value": 0.222,
"unit": "S/m"
},
"provenance_class": "fitted"
},
{
"parameter": "surface_area_per_volume",
"quantity": {
"value": 499522,
"unit": "1/m"
},
"provenance_class": "fitted"
},
{
"parameter": "porosity",
"quantity": {
"value": 0.253991,
"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "transport_efficiency",
"quantity": {
"value": 0.128,
"unit": "1"
},
"provenance_class": "fitted"
}
]
},
{
"part": "positive_material",
"material_kind": "nmc111",
"claims": [
{
"parameter": "particle_radius",
"quantity": {
"value": 4.6e-06,
"unit": "m"
},
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},
{
"parameter": "solid_diffusivity",
"quantity": {
"value": 3.2e-14,
"unit": "m2/s"
},
"provenance_class": "fitted"
},
{
"parameter": "ocp",
"expression": {
"text": "-3.04420906 * x + 10.04892207 - 0.65637536 * tanh(-4.02134095 * (x - 0.80063948)) + 4.24678547 * tanh(12.17805062 * (x - 7.57659337)) - 0.3757068 * tanh(59.33067782 * (x - 0.99784492))",
"language": "bpx",
"argument": "x"
},
"provenance_class": "fitted"
},
{
"parameter": "entropic_coefficient",
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"value": -0.0001,
"unit": "V/K"
},
"provenance_class": "fitted"
},
{
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},
"provenance_class": "fitted"
},
{
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},
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},
{
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{
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},
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},
{
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},
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},
{
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},
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]
},
{
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{
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},
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},
{
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},
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},
{
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},
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},
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},
{
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},
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}
]
},
{
"part": "separator",
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{
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"value": 2e-05,
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},
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},
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{
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},
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]
},
{
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{
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"unit": "1"
},
"provenance_class": "fitted"
},
{
"parameter": "ionic_conductivity",
"expression": {
"text": "0.1297 * (x / 1000) ** 3 - 2.51 * (x / 1000) ** 1.5 + 3.329 * (x / 1000)",
"language": "bpx",
"argument": "x"
},
"provenance_class": "fitted"
},
{
"parameter": "electrolyte_diffusivity",
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"text": "8.794e-11 * (x / 1000) ** 2 - 3.972e-10 * (x / 1000) + 4.862e-10",
"language": "bpx",
"argument": "x"
},
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{
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},
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},
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]
},
{
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}
},
{
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}
},
{
"parameter": "ambient_temperature",
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"value": 298.15,
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}
}
]
}
],
"annex": {
"Negative electrode delithiation OCP [V]": {
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"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
],
"schema:variableMeasured": [
{
"@type": "schema:PropertyValue",
"schema:name": "ionic_conductivity",
"schema:propertyID": "ionic_conductivity",
"schema:value": "0.1297 * (x / 1000) ** 3 - 2.51 * (x / 1000) ** 1.5 + 3.329 * (x / 1000)",
"schema:description": "expression (bpx)",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
},
{
"@type": "schema:PropertyValue",
"schema:name": "electrolyte_diffusivity",
"schema:propertyID": "electrolyte_diffusivity",
"schema:value": "8.794e-11 * (x / 1000) ** 2 - 3.972e-10 * (x / 1000) + 4.862e-10",
"schema:description": "expression (bpx)",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "provenance_class",
"schema:value": "fitted"
}
}
]
},
{
"@type": "schema:Dataset",
"schema:name": "BPX NMC111-Si pouch hysteresis - initial and thermal state",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "part",
"schema:value": "state"
},
"hasProperty": [
{
"@type": [
"ThermodynamicTemperature",
"ConventionalProperty"
],
"skos:prefLabel": "ThermodynamicTemperature",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 298.15
},
"hasMeasurementUnit": "https://w3id.org/emmo#Kelvin",
"schema:propertyID": "initial_temperature"
},
{
"@type": [
"InitialChargeCarrierConcentrationInElectrolyte",
"ConventionalProperty"
],
"skos:prefLabel": "InitialChargeCarrierConcentrationInElectrolyte",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 1000
},
"hasMeasurementUnit": "https://w3id.org/emmo#MolePerCubicMetre",
"schema:propertyID": "initial_concentration"
},
{
"@type": [
"ConventionalProperty"
],
"skos:prefLabel": "ambient_temperature",
"hasNumericalPart": {
"@type": "RealData",
"hasNumberValue": 298.15
},
"hasMeasurementUnit": "https://w3id.org/emmo#Kelvin",
"schema:propertyID": "ambient_temperature"
}
]
}
],
"schema:distribution": {
"@type": "schema:DataDownload",
"schema:contentUrl": "https://raw.githubusercontent.com/FaradayInstitution/BPX/eb5da74588631ffee0e81f00746352a3f5ba5414/examples/nmc_pouch_cell_BPX_user-defined_hysteresis.json",
"schema:name": "nmc_pouch_cell_BPX_user-defined_hysteresis.json",
"schema:encodingFormat": "application/json",
"dcterms:type": "source",
"dcterms:conformsTo": "BPX 0.4.0",
"dcat:byteSize": 100367,
"schema:sha256": "93ae7b14dd97f49b88224989054c7c28012d99b9cf1adc8270d9311e712ff58e",
"schema:additionalProperty": {
"@type": "schema:PropertyValue",
"schema:name": "bpx_parse",
"schema:value": true,
"schema:description": "bpx 1.1.1 Parser warnings: Detected a legacy BPX v0.x file/object; converting to the v1.x schema for backward compatibility. The conversion is approximate: the 'State' block is synthesised from the v0.x parameterisation (initial SOC set to 1, ambient and initial temperatures resolved from those provided, lumped thermal conductivity dropped). Optional v1.x fields that have no v0.x equivalent (e.g. initial hysteresis state and heat transfer coefficient) are omitted from the converted object rather than given a value here, so any tool that consumes it will apply its own defaults for them. Cross-version semantic changes are not corrected. Re-export from bpx>=1 to silence this warning, or pass convert_legacy=False to disable conversion.. Parsed by the official bpx parser.",
"dcterms:date": "2026-10-11"
},
"schema:isPartOf": {
"@id": "https://w3id.org/battinfo/dataset/xms6-5z2m-gpsz-nzy9"
}
},
"schema:citation": {
"@id": "https://github.com/FaradayInstitution/BPX",
"@type": "schema:CreativeWork"
},
"schema:comment": "Imported from the FaradayInstitution/BPX examples (MIT licence, (c) 2022 University of Oxford).",
"dcterms:license": {
"@id": "https://spdx.org/licenses/MIT.html"
}
}
Fields#
Generated from the packaged JSON Schemas — the same files battinfo validate and the registry’s publish gate enforce. Every record also carries the shared envelope (schema_version, provenance, and optional notes, funding, contributor, license). Quantities are {value, unit} maps whose value is a number; text that is not a number goes in value_text. They may also carry value_basis (Measured, Conventional, Rated, or Nominal) and conditions (the parameters under which the value holds, each itself a quantity; a qualitative condition may be value_text alone). In JSON-LD, conditions on a measured value ride a measurement node the quantity isOutputOf, and conditions on a declared value (Conventional, Rated or Nominal) become named schema:valueReference qualifiers on the quantity. The voltage_reference key goes under schema:valueReference either way, as a node typed with the reference electrode’s classes (Li/Li+ gives ReferenceElectrode and LithiumElectrode). When authoring, an instance references its spec with the spec_id= kwarg; the record stores the self-describing <type>_spec_id key shown in the tables below.
parameter-set fields#
Schema: parameter-set.schema.json · required at top level: schema_version, parameter_set, provenance
Field |
Type |
Required |
Description |
|---|---|---|---|
|
→ DatasetIri or → SpecIri |
yes |
The record’s IRI. Parameter sets of both flavours are datasets and mint under dataset/ (IDENTIFIER_POLICY 6.3): a claim batch’s uid is stable_uid(‘parameter-claims: |
|
→ ShortId |
||
|
string |
yes |
Human-readable label. A claim batch is conventionally named ‘ |
|
→ Handle |
Short readable slug, unique within one registry workspace (e.g. ‘flores-ocv/graphite-aq-1-063b77-cell’). Display text, never part of the identity. |
|
|
string |
Claim-batch target: a generic material kind key from the curated material_kinds vocabulary (e.g. ‘graphite’, ‘nmc811’). Claims about the generic chemistry collate here; resolution falls back from a product-specific material spec to its kind. |
|
|
→ MaterialSpecRefIri |
Claim-batch target: a specific material spec (a vendor product/grade). Use for claims measured on a particular product rather than the generic chemistry. |
|
|
→ CellSpecRefIri |
The cell spec the claims describe. On a claim batch, the target: cell-level fitted sets (full-cell parameterizations, ECM fits) and electrode/separator/electrolyte claims that describe this cell’s build. On a parameter file, the cell design the file parameterises. |
|
|
→ CellIri |
Parameter files only: the physical cell the file was fitted on, when the fit describes one cell rather than a cell design. |
|
|
const |
Parameter files only: the file describes no real cell (a virtual or example cell), so the record links to none. |
|
|
|
Claim batches only. Physical scope the claims describe. Defaults (in the builder) to ‘material’ for material targets and ‘cell’ for cell-spec targets. Electrode/separator/electrolyte scopes carry manufactured-build parameters (thickness, porosity, transport) that belong to a cell design, not to a powder. |
|
|
|
Claim batches only. For electrode-scope claims on a cell-spec target: which electrode the claims describe. |
|
|
string |
Parameter files only: the SHA-256 (lowercase hex) of the RFC 8785 canonical form of the source file, the fingerprint the record’s IRI derives from (stable_uid(‘parameter-file:’ + parameters_sha256), IDENTIFIER_POLICY 6.3). Anyone can check a file against the IRI with it. |
|
|
object |
The digital artifact these claims came from, when they were imported from a modelling parameter set (BPX file, PyBaMM parameter set, …). |
|
|
array of → Claim |
Claim batches only: the claims about the target. |
|
|
array of → Part |
Parameter files only: every claim the file makes, grouped by part. Each (part, phase) pair appears at most once (builder- and validator-enforced). |
|
|
string |
||
|
string |
||
|
object |
Source-file extension entries carried verbatim (e.g. a BPX User-defined block): original key -> raw value. No standard semantics are claimed for these; they exist so a re-export reproduces the source file and nothing is silently lost. |
|
|
array of string |
Parameter files only: the values of the source file the record does not hold, as BPX paths (‘Parameterisation/Negative electrode/Particle’, ‘State/Degradation’, ‘Validation’). They stay in the source file; a document rebuilt from the record lacks them. |
|
|
→ SupersededParameterSetIri |
The parameter-set record this one replaces, of either flavour: the record of an earlier file a corrected file replaces (a corrected file has other parameters and so a new IRI), or a parameter set minted under spec/ before 2026-10-11 that this dataset/ record republishes. Only the publisher of the earlier record may supersede it (the registry refuses anyone else), and the registry then marks it superseded. This record never reuses the earlier record’s uid. |
|
|
array of → ParameterFile |
Parameter files only: the file itself. Exactly one ‘source’ entry (the file exactly as its authors published it), at most one ‘runnable’ entry (a declared, checksummed conversion for solvers that cannot read the source, made only when the official parser rejects it) and any number of ‘mirror’ entries (the same bytes served elsewhere). Claims extracted from the file are an index for search and collation; a solver reads the file. |
Design notes#
The reasoning behind the model
Why claims, not properties. It is tempting to say a diffusivity of graphite is a property of graphite and file it on a material record. Four facts break that model. Most claims target a kind (graphite as such), and kinds are vocabulary, not records — there is no bearer to carry the property. Sources disagree — five published graphite OCPs, fitted diffusivities an order of magnitude apart — and a record’s properties presuppose one adjudicated value, while the spread is the data. Many parameters are not properties of the material at all but of a model fit — a reaction rate constant fitted under DFN belongs to (material × model × calibration), and asserting it on the material would poison the record with model artifacts. And a calibration is a joint estimate: values fitted together are only valid together, so the set is the unit of self-consistency. Hence one record per source, provenance_class per claim, resolution downstream. The describer’s own declarations (a datasheet density) stay properties of the description; third-party and model-bound assertions are claims about the target — the same epistemics rule as spec vs instance.
A parameter set is a dataset. Both flavours are one particular piece of data from one source, produced by one calibration or extraction, and nothing is ever an instance of one, so they are datasets in the sense of IDENTIFIER_POLICY 6.1 rather than specs. They mint under https://w3id.org/battinfo/dataset/, next to dataset records, and emit as schema:Dataset; read the record, not the namespace, to tell the two apart. A claim batch’s uid derives from its target, scope, electrode polarity and name under the seed parameter-claims, a parameter file’s from its parameters_sha256 under the seed parameter-file. Either flavour may name the record it replaces in supersedes, and only the publisher of that record can supersede it.
Records published under spec/. The 18 parameter sets published before 2026-10-11 (17 claim batches and one BPX file) keep their spec/ IRIs, which resolve as superseded records that point at their dataset/ replacements. A record with a spec/ id still loads, validates and is found by its IRI, with the warning semantic.parameter_set_legacy_namespace, which names the dataset/ IRI of its replacement. The publisher policy makes that warning an error, so ws.submit() refuses the record and nothing is published under spec/ again. ws.zenodo() refuses it too, unless another record in the same workspace supersedes it: then the deposit leaves it out and says so. supersede_parameter_set(record) builds the replacement: a dataset/ record minted from the current seeds, with supersedes naming the old IRI and everything else unchanged. The replacement never keeps the old uid, because a uid is never reused, not even under another namespace: a dataset/ record with the uid its fields had under spec/ is invalid under every policy. A query or a collation that finds both a record and its replacement returns the replacement only (include_superseded=True returns both), so no source is counted twice.
One file, one record. A BPX file is one co-fitted parameterisation whose values are only valid together, so they stay together: one parameter-set record per file, its claims grouped by part. The importer never guesses which cell a file describes, and the caller states it with exactly one link. If the cell is already in the genome, the record names its cell spec (cell_spec_id), or the one physical cell a fit was made on (cell_instance_id), and nothing else is created. If it is a real cell that is not in the genome yet, the caller searches for a duplicate by maker and model, then creates the cell spec with its identity only (name, maker, model, format, chemistry) and, if missing, the maker’s organization record, and links that spec. The file’s cell numbers (capacity, cut-offs, geometry, temperatures) stay on the parameter set as claims, not on the new spec. If there is no real cell, as for the BPX repository’s own examples, the record says virtual_cell: true and links nothing. BPX does not name its materials, so the caller names each electrode’s material part (materials={"negative": "graphite", "positive": "nmc811"}) to make its claims findable by material. electrode_area is the area of one electrode pair, as BPX and PyBaMM use it, and electrode_pair_count sits next to it so the total can be computed.
BPX interop, both directions. from_bpx_parameters reads the file and to_parameter_set builds the record. Every value in the file lands in a part. The Cell block is the cell part. Each electrode block splits into its material part (stoichiometry window, diffusivity, OCP) and its electrode part (thickness, porosity). Separator and electrolyte are parts of their own, and the initial and thermal conditions form the state part, read the same from the v0.x layout (Cell and Electrolyte) and from the v1 State block. Values keep the form and unit the file gives them: scalars as quantities, tables as curves, function strings as expressions. BPX does not say how a value was obtained, so the cell and state claims carry no provenance_class; the material, electrode, separator and electrolyte claims are fitted unless the caller says otherwise (default_provenance_class=, or provenance_classes= by part name). A zero or negative transport value (a conductivity, diffusivity, transference number or transport efficiency) is a placeholder, not a fit: it is kept as the file states it, gets no class unless its part is named, and record validation warns about it. Header lineage rides along: Model, the BPX version and the layout the file actually uses (v0 or v1; a file declaring 1.0 may keep the v0.x one) in model_context (a DFN-fitted value is not model-free), Description on the record, References as citation or note. The User-defined block travels verbatim as the record’s annex. A single-phase electrode’s OCP branches are ocp curves with their branch. What the record does not model yet (blended-electrode Particle blocks, initial hysteresis state, Degradation, Validation curves) is named in a warning and listed by its BPX path in the record’s not_imported, never dropped silently. The JSON-LD says so as well: the record node carries not_imported, and the names of the annex entries, as schema:additionalProperty values, so a linked-data reader can tell the graph is not the whole file. The reverse is to_bpx(record), which rebuilds the BPX document from the parts at the file’s own version or at the one asked for, in that version’s layout. A record whose model_context.layout is v0 and that is exported at a 1.x version goes through the same conversion as upgrade_bpx, so it gains the State values the bpx package’s own migration adds. Values in another unit than BPX states are converted, curves included, or the export refuses; the result says complete=False when the file held values the record does not, and the official bpx parser’s verdict is in its warnings. query_parameter_sets and collate_claims read the parts, so a search for graphite claims finds the graphite part of every file next to the literature claim batches. A search returns whole records, so pass the same material on, collate_claims(records, material_kind="graphite"), to keep only the graphite claims; without it a file’s cell, electrode and other-electrode claims come back too.
A BPX file’s IRI. A solver should be able to take a parameter set’s IRI and run it, so the record carries the file itself under distributions. Role source is the file exactly as its authors published it, and there is exactly one. Role runnable is an optional declared conversion, made only when the official parser rejects the source: a file that declares BPX 1.0 but keeps the v0.x layout, for example, rewritten in the v1 layout by upgrade_bpx because current PyBaMM requires it. It names the source’s sha256 in derived_from, says what changed in conversion, and must be exactly that conversion of the source: the builder (given runnable_file=) and the registry both check it. The conversion lives in battinfo._bpx_layout, a standard-library module the registry vendors as it is. Role mirror is the source’s bytes served from somewhere else, with the same checksum. Links are https only, and each file records the checks run on it at ingest (bpx_parse, simulation_smoke). The record is addressed by the file’s parameters (IDENTIFIER_POLICY 6.3): its uid derives from the digest of the file’s RFC 8785 canonical JSON, which the record stores as parameters_sha256, so anyone holding the file can check it against the IRI. A copy that differs only in formatting or number spelling keeps the IRI, and a corrected file is a new record that names the old one in supersedes. The first publisher owns the IRI, the registry keeps the first copy it is given and serves it at https://w3id.org/battinfo/dataset/<uid>?format=bpx, and the record validator holds the binding (an IRI the fingerprint does not give, a runnable not naming its source, a mirror of other bytes) as errors under every policy. A file is required to publish and optional for local work. The steps are in Publish a BPX parameter file.