{"schema":"https://ver.cy/schemas/card/1.0.0","id":"vr.tr.endohedral-fullerene","code":"thing-q385413","url":"https://ver.cy/models/thing/q385413/","name":"endohedral fullerene","alternateNames":["metallofullerene"],"kind":"thing","status":"published","version":"0.1.0-research.1","language":"en","classifiers":{"family":"Thing Registry","category":"Physical world and living systems","entryKind":"thing","plane":"PHY","domain":["PHY.MAT"],"industry":[],"navPath":"","tags":[],"facets":{}},"whatItIs":"An endohedral fullerene is a fullerene whose closed carbon cage encloses one or more atoms, ions, or molecules, with properties determined by both the cage and the encapsulated species.","purpose":"Enable an agent to identify an endohedral fullerene, assess evidence that its guest is enclosed within a fullerene cage, and judge suitable handling, characterization and use.","scope":{"in":["Carbon-cage identity, size, connectivity and isomer assignment","Encapsulated guest identity, occupancy and internal configuration","Evidence distinguishing internal encapsulation from external attachment or sample contamination","Guest-cage interactions and resulting electronic, magnetic or spectroscopic properties","Sample composition, purification, cage integrity and condition-dependent stability","Species-specific identifiers, handling constraints and demonstrated uses"],"out":["Empty fullerenes except as reference materials or sample impurities","Guest species outside the cage, whose independent chemistry belongs to their own substance models","Exohedral fullerene derivatives except where external groups modify an endohedral species","Fullerene synthesis equipment and production processes as independently modeled systems","Products, devices or formulations containing endohedral fullerenes","Other host-guest materials, including nanotube encapsulates and non-fullerene molecular cages"],"boundaries":[]},"distinguishingFeatures":["The host must be identified as a fullerene cage; enclosure by an arbitrary carbon particle or nanotube is insufficient.","Evidence must support guest location inside the cage rather than external adsorption, bonding or coexistence in a mixture.","An occupied cage must be distinguished from the corresponding empty fullerene; a shared cage size does not establish the same chemical identity.","Guest identity, guest count and cage identity jointly distinguish species; the general name does not identify one composition or one registry number.","An endohedral metallofullerene is a metal-containing member of this class; a metal guest must not be assumed for every endohedral fullerene."],"structure":{"bundles":[{"id":"guest-and-cage-identity","name":"Guest and cage identity","description":"Defines the enclosed components and the fullerene structure that jointly identify an endohedral species.","layers":[{"id":"fullerene-host","name":"Fullerene host","description":"Resolves cage size, connectivity and modifications affecting host identity.","findings":[{"id":"cage-assignment","name":"Cage assignment","description":"Record the assigned fullerene cage and distinguish established structure from unresolved isomer identity.","questions":[{"text":"What carbon count and cage connectivity or isomer designation identify the host?","id":"cage-assignment-q01","kind":"definition"},{"text":"Which observations support the cage assignment, and could another cage isomer fit them?","id":"cage-assignment-q02","kind":"provenance"},{"text":"Is the cage closed and intact, or is the material an opened intermediate or externally modified derivative?","id":"cage-assignment-q03","kind":"boundary"}]}]},{"id":"enclosed-component","name":"Enclosed component","description":"Resolves guest composition and its relationship to a particular cage.","findings":[{"id":"guest-stoichiometry","name":"Guest stoichiometry","description":"Specify the guest without assuming that every enclosed species is a single metal atom.","questions":[{"text":"Which atoms, ions, molecules or clusters are enclosed, and how many occur in each assigned species?","id":"guest-stoichiometry-q01","kind":"definition"},{"text":"Does the guest@cage notation distinguish guest count, relevant isotopes and cage identity unambiguously?","id":"guest-stoichiometry-q02","kind":"boundary"},{"text":"Which composition measurements support the proposed guest formula?","id":"guest-stoichiometry-q03","kind":"measurement"}]}]}]},{"id":"encapsulation-and-structure-evidence","name":"Encapsulation and structure evidence","description":"Establishes whether the guest is internal and how precisely its configuration is known.","layers":[{"id":"internal-location","name":"Internal location","description":"Tests enclosure against alternative explanations of the analytical observations.","findings":[{"id":"encapsulation-assignment","name":"Encapsulation assignment","description":"Record the evidence supporting internal guest location and the alternatives it excludes.","questions":[{"text":"Which measurements distinguish an internal guest from an external adduct or co-purified guest-containing impurity?","id":"encapsulation-assignment-q01","kind":"measurement"},{"text":"Does the assignment rely on composition alone, or is there independent structural or spectroscopic support?","id":"encapsulation-assignment-q02","kind":"provenance"},{"text":"What additional observation would resolve the strongest remaining alternative to encapsulation?","id":"encapsulation-assignment-q03","kind":"action"}]}]},{"id":"internal-configuration","name":"Internal configuration","description":"Separates guest position, orientation and motion from measurement averaging.","findings":[{"id":"guest-configuration","name":"Guest configuration","description":"Record whether the guest configuration is resolved, disordered, dynamic or inferred.","questions":[{"text":"What guest position, orientation or internal cluster geometry is supported, with what uncertainty?","id":"guest-configuration-q01","kind":"measurement"},{"text":"Can the observations distinguish guest motion from static disorder or a mixture of configurations?","id":"guest-configuration-q02","kind":"boundary"},{"text":"Under which temperature, phase and measurement timescale was the configuration characterized?","id":"guest-configuration-q03","kind":"provenance"}]}]}]},{"id":"guest-cage-properties","name":"Guest-cage properties","description":"Connects enclosure to electronic, magnetic and spectroscopic behavior.","layers":[{"id":"electronic-coupling","name":"Electronic coupling","description":"Records charge and spin behavior with explicit assignment methods.","findings":[{"id":"charge-and-spin","name":"Charge and spin","description":"Distinguish measured electronic responses from models of charge transfer and spin distribution.","questions":[{"text":"What overall charge and spin state are supported for the characterized species?","id":"charge-and-spin-q01","kind":"measurement"},{"text":"Which observations or calculations support a proposed guest-to-cage charge distribution?","id":"charge-and-spin-q02","kind":"provenance"},{"text":"Which assignments describe the enclosed species, and which have merely been borrowed from the free guest?","id":"charge-and-spin-q03","kind":"boundary"}]}]},{"id":"diagnostic-responses","name":"Diagnostic responses","description":"Captures property measurements usable for recognition and comparison.","findings":[{"id":"property-fingerprint","name":"Property fingerprint","description":"Record spectroscopic, magnetic or electrochemical signatures together with reference materials and conditions.","questions":[{"text":"Which observed signals distinguish this endohedral species from its empty cage and likely impurities?","id":"property-fingerprint-q01","kind":"measurement"},{"text":"What solvent, temperature, concentration, field or reference standard is needed to interpret each reported response?","id":"property-fingerprint-q02","kind":"provenance"},{"text":"Which response is sufficiently selective and reproducible to verify identity before a proposed use?","id":"property-fingerprint-q03","kind":"action"}]}]}]},{"id":"sample-integrity-and-use","name":"Sample integrity and use","description":"Relates preparation history, composition and structural retention to permissible experimental actions.","layers":[{"id":"preparation-and-purity","name":"Preparation and purity","description":"Tracks the actual material carrying the endohedral species.","findings":[{"id":"sample-composition","name":"Sample composition","description":"Record preparation and separation history with evidence for target content and relevant impurities.","questions":[{"text":"Which preparation and purification records connect this sample to the assigned endohedral species?","id":"sample-composition-q01","kind":"provenance"},{"text":"What fractions are target species, empty cages, other endohedral species, cage isomers or residual guest-containing materials?","id":"sample-composition-q02","kind":"measurement"},{"text":"Does the stated purity represent mass, amount of substance or analytical signal, and which impurities could escape that method?","id":"sample-composition-q03","kind":"boundary"}]}]},{"id":"retention-and-transformation","name":"Retention and transformation","description":"Determines whether handling or treatment preserves enclosure and species identity.","findings":[{"id":"integrity-under-treatment","name":"Integrity under treatment","description":"Track cage alteration, guest retention and degradation under explicitly tested conditions.","questions":[{"text":"Under which storage, illumination, heating and solvent conditions has cage integrity and guest retention been checked?","id":"integrity-under-treatment-q01","kind":"measurement"},{"text":"Does a proposed reaction preserve the enclosed guest while modifying the exterior, or change the defining guest-cage structure?","id":"integrity-under-treatment-q02","kind":"boundary"},{"text":"Which before-and-after measurements are needed to verify identity following treatment?","id":"integrity-under-treatment-q03","kind":"action"}]}]},{"id":"handling-and-application","name":"Handling and application","description":"Links species-specific documentation and demonstrated performance to an intended action.","findings":[{"id":"use-readiness","name":"Use readiness","description":"Judge suitability from the characterized sample and applicable evidence rather than the family name.","questions":[{"text":"Which chemical identifiers and safety records explicitly cover this species, derivative and sample form?","id":"use-readiness-q01","kind":"provenance"},{"text":"What measured property and purity requirement make the sample suitable for the intended experiment or application?","id":"use-readiness-q02","kind":"action"},{"text":"Which handling limits or performance claims remain unsupported for this guest-cage combination?","id":"use-readiness-q03","kind":"boundary"}]}]}]},{"id":"evidence-and-external-alignment","name":"Evidence and external alignment","description":"What the world already says about this thing, gathered so the model can be checked against it.","layers":[{"id":"reported-evidence","name":"Reported evidence","description":"Findings from the breadth pass, kept separate from the structural claims.","findings":[{"id":"evidence-confidence-notes","name":"Check these first","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these check these first hold for the sense of endohedral fullerene this model covers, and on what evidence?","id":"evidence-confidence-notes-q01","kind":"provenance"}]},{"id":"evidence-kinds","name":"Kinds and varieties","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these kinds and varieties hold for the sense of endohedral fullerene this model covers, and on what evidence?","id":"evidence-kinds-q01","kind":"provenance"}]},{"id":"evidence-identifiers","name":"Identifiers and schemes","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these identifiers and schemes hold for the sense of endohedral fullerene this model covers, and on what evidence?","id":"evidence-identifiers-q01","kind":"provenance"}]},{"id":"evidence-real-world-use","name":"Real-world use","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these real-world use hold for the sense of endohedral fullerene this model covers, and on what evidence?","id":"evidence-real-world-use-q01","kind":"provenance"}]},{"id":"evidence-failure-modes-and-hazards","name":"Failure modes and hazards","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these failure modes and hazards hold for the sense of endohedral fullerene this model covers, and on what evidence?","id":"evidence-failure-modes-and-hazards-q01","kind":"provenance"}]},{"id":"evidence-neighbours","name":"Neighbouring kinds and how to tell them apart","description":"Recalled without web access and unsourced; every item is a lead to verify.","questions":[{"text":"Which of these neighbouring kinds and how to tell them apart hold for the sense of endohedral fullerene this model covers, and on what evidence?","id":"evidence-neighbours-q01","kind":"provenance"}]}]}]}]},"agentConduct":{"may":["Describe endohedral fullerenes and their research uses from reliable sources.","Record samples, encapsulated species and storage in a laboratory the agent is authorized to manage."],"mustNot":["Present research applications, such as contrast agents, as approved medical products.","Handle samples containing radioactive or toxic encapsulated species outside the site's safety rules.","Release nanomaterials into drains or the environment.","Overstate early results in a way that misleads investors or patients."],"requiresHuman":["Use of any endohedral fullerene in animals or people."]},"ethics":{"considerations":["Nanomaterial safety is still being studied, so caution protects workers and the environment.","Hype about medical uses can mislead patients."],"affectedParties":["Laboratory workers","Patients in future trials","The environment"]},"owners":{"steward":"The laboratory or producer that holds the material.","roles":[],"masterSystems":["Chemical inventories and safety data sheet systems"]},"relations":[{"target":"Q11173","type":"parent","note":"registry parent class"}],"interaction":{"identity":{"applicability":"required","items":["Vercy registry: vr.tr.endohedral-fullerene","Wikidata: Q385413 (https://www.wikidata.org/wiki/Q385413)"]},"properties":{"applicability":"required","items":["Fullerene cage identity: Carbon atom count, cage connectivity or isomer designation, assignment confidence","Encapsulated guest composition: Elemental or molecular identity, isotope composition where relevant, number of encapsulated constituents","Guest-cage specification: Guest@cage notation linked to an explicit structural interpretation","Encapsulation evidence status: Proposed, supported, structurally resolved, disputed; methods and limitations recorded","Guest position and mobility: Position or displacement in Å, orientation, motion timescale in s where measured, with temperature and method","Electronic and spin assignment: Overall charge, proposed guest and cage charge distribution, spin state, supporting method","Sample composition and purity: Mass fraction, mole fraction or explicitly labeled analytical area fraction; method and uncertainty","Cage and guest retention: Intact, externally modified, opened, fragmented or unresolved; guest retained, released or unresolved","Physical presentation: Isolated molecular species, solution, dispersion, solid or matrix-bound sample; conditions specified","Condition-dependent stability: Observed change over time in s or h under stated temperature, atmosphere, illumination and solvent","Chemical and hazard record linkage: Verified species-specific identifiers, safety documents and jurisdictional records, or unresolved"]},"recognition":{"applicability":"not-applicable","items":[]},"capabilities":{"applicability":"required","items":["Resolve a proposed identity into guest composition, cage identity and remaining structural ambiguity.","Compare complementary measurements to assess whether internal encapsulation is established.","Select characterization that can discriminate empty cages, external adducts and competing endohedral species.","Assess whether purification, storage or chemical modification preserves the guest and cage.","Compare measured properties across samples while accounting for purity, isomer composition and measurement conditions.","Match a characterized species to a proposed experimental use using explicit evidence and unresolved constraints."]},"hazards":{"applicability":"required","items":["Fine powders can be inhaled, and their long-term health effects are not fully known.","The encapsulated atom, such as a metal, may itself be toxic or radioactive."]},"interfaces":{"applicability":"required","items":["Regulation (EC) No 1907/2006 concerning the registration, evaluation, authorisation and restriction of chemicals, issued by the European Parliament and the Council of the European Union, applies to endohedral fullerene substances within its scope, subject to relevant exemptions."]},"context":{"applicability":"required","items":["Endohedral fullerenes are encountered in chemical research on confined atoms and molecules and their interactions with carbon cages.","They are investigated for electronic, magnetic and spectroscopic behaviour, with potential applications depending on the encapsulated species and cage structure."]}},"sources":[{"title":"Wikidata item Q385413: endohedral fullerene","url":"https://www.wikidata.org/wiki/Q385413","note":"identity and sense of the item"},{"title":"Wikipedia: Endohedral fullerene","url":"https://en.wikipedia.org/wiki/Endohedral_fullerene","note":"general description of the item"}],"openQuestions":["Which authoritative definition and nomenclature conventions should govern the class, especially externally functionalized cages and cage-opened intermediates?","Does an existing Vercy world model already cover this concept, requiring a registry link instead of a separate publication?","What minimum combination of evidence should establish encapsulation for each guest family when direct structural determination is unavailable?","Which representative species have sufficiently documented cage isomers, guest configurations and reference measurements to support validated recognition?","Which species-specific identifiers, stability data and hazard records are available, and where must handling or application suitability remain unresolved?"],"resources":{"spec":"/models/things/publications/thing-q385413/spec.json"},"provenance":{"origin":"thing registry research (pass 2)","builtFrom":["models/things/publications/thing-q385413/spec.json"],"providers":["Codex"],"researchStatus":"unreviewed","generatedAt":"2026-09-12T09:29:31Z","builder":"tools/build_cards.py@1.0.0"},"completeness":{"sections":{"classifiers":"filled","whatItIs":"filled","purpose":"filled","distinguishingFeatures":"filled","structure":"filled","agentConduct":"filled","ethics":"filled","owners":"filled","relations":"filled","interaction.identity":"filled","interaction.properties":"filled","interaction.recognition":"not-applicable","interaction.capabilities":"filled","interaction.hazards":"filled","interaction.interfaces":"filled","interaction.context":"filled","sources":"filled"},"notes":{"_gate":"Published through the thing publication gate 1.0 on 2026-10-07T10:10:30+00:00: completeness 1.00; sense: Wikidata description; 2 live sources; review by codex: pass","interaction.recognition":"Ordinary visual appearance cannot establish that a guest is enclosed inside a fullerene cage, so identification requires analytical evidence."},"score":1.0}}