{
  "vercy": "1.0-draft",
  "publication": {
    "status": "research-draft",
    "adjudicationStatus": "unreviewed",
    "publishableCanonical": false,
    "generatedAt": "2026-09-13T14:49:35Z",
    "providers": [
      "Claude"
    ],
    "breadth": "written by Claude from model knowledge without web access - no source was read, every claim is a lead to verify",
    "pass": 2,
    "wave": 4,
    "engine": "claude",
    "enrichment": {
      "pass": 3,
      "engine": "claude",
      "producedAt": "2026-10-06T11:00:00Z",
      "ingestedAt": "2026-10-06T07:41:54+00:00",
      "fields": [
        "agent_conduct",
        "ethics",
        "owners"
      ]
    },
    "revisions": [
      {
        "at": "2026-10-06T22:59:48+00:00",
        "engine": "codex",
        "fields": [
          "definition"
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        "answering_review": "461ace30a4720a91aa0a039764669229834236571db4a8a7d3850ffdf2f90bac"
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    "gate": {
      "passed": true,
      "version": "1.0",
      "at": "2026-10-07T10:10:33+00:00",
      "evidence": [
        "completeness 1.00",
        "sense: Wikidata description",
        "2 live sources",
        "review by codex: pass"
      ]
    }
  },
  "metaModel": {
    "id": "THING-Q83147",
    "registryId": "vr.tr.chemical-formula",
    "name": "chemical formula",
    "version": "0.2.0-wave.4",
    "entryKind": "thing",
    "family": "Thing Registry",
    "domain": [
      "INF.MED"
    ],
    "status": "research-draft"
  },
  "canonicalUrl": "https://ver.cy/models/thing/q83147/",
  "model": {
    "registry_id": "vr.tr.chemical-formula",
    "name": "chemical formula",
    "purpose": "Let an agent explain chemical formulas and their kinds, relay notation rules and conventions from chemistry references, describe ionic formulas, formula units and formula weights, and distinguish formulas from chemical names, chemical equations and structural diagrams.",
    "definition": "A notation using element symbols, numbers and other signs to express the composition of a chemical substance, from empirical formulas giving element ratios and molecular formulas, also commonly called raw formulas, giving atom counts to structural formulas showing bonding, with conventions for ionic compounds and formula units, generalised salt and binary species notation, and the formula weight computed from the formula; chemical formulas follow IUPAC rules.",
    "what_it_is_for": "Expressing chemical composition.",
    "affordances": [
      "explain formula kinds",
      "relay notation rules",
      "describe ionic conventions",
      "distinguish related notations"
    ],
    "distinguishing_features": [
      "Symbolic",
      "Several kinds",
      "IUPAC rules",
      "Basis for calculation"
    ],
    "appearance": "A string of element symbols with subscripts, such as H2O or NaCl.",
    "visual_identification": [
      "Symbolic expression of composition",
      "Empirical and raw formula, molecular formula, ionic formula, formula unit, formula weight, binary species notation",
      "Names are words; equations show reactions; structural diagrams draw bonds"
    ],
    "physical_properties": [
      {
        "quantity": "water",
        "typical_range": "H2O",
        "unit": "note",
        "note": "molecular formula"
      },
      {
        "quantity": "sodium chloride",
        "typical_range": "NaCl",
        "unit": "note",
        "note": "formula unit"
      },
      {
        "quantity": "Berzelius notation",
        "typical_range": "1813",
        "unit": "year",
        "note": ""
      }
    ],
    "families_and_kinds": [
      "empirical and raw formulas",
      "molecular formulas",
      "structural and condensed formulas",
      "ionic formulas and formula units",
      "generalised formulas for salts and binary species",
      "formula weight and molar mass calculations"
    ],
    "related_models": [
      {
        "relation": "is a kind of",
        "target": "notation",
        "why": "in registry terms"
      },
      {
        "relation": "is governed by",
        "target": "IUPAC nomenclature",
        "why": "rules"
      },
      {
        "relation": "is contrasted with",
        "target": "chemical equation",
        "why": "which shows reactions"
      },
      {
        "relation": "was introduced by",
        "target": "Jons Jacob Berzelius",
        "why": "in 1813"
      }
    ],
    "identifiers": [],
    "standards_and_regulation": [
      "IUPAC recommendations on formulas",
      "Labelling regulations requiring formulas"
    ],
    "failure_modes_and_hazards": [
      "Confusing empirical and molecular formulas",
      "Misreading ionic formulas as molecules",
      "Registry aliases mixing notation kinds and derived quantities"
    ],
    "in_scope": [],
    "out_of_scope": [],
    "characteristics": [],
    "agent_conduct": {
      "may": [
        "Read, write and validate chemical formulas and compute formula weights.",
        "State which kind of formula is given: empirical, molecular or structural."
      ],
      "must_not": [
        "Present an empirical formula as a molecular one, or the reverse.",
        "Read an ionic formula unit as a discrete molecule.",
        "Give a formula for a substance it cannot identify, or invent one.",
        "Provide formulas together with procedures for making restricted or harmful substances."
      ],
      "requires_human": [
        "Using a derived formula to order, synthesise or label a chemical."
      ]
    },
    "ethics": {
      "considerations": [
        "Mislabelled chemicals injure workers and patients.",
        "Chemical identification has dual use and must stay oriented to lawful work."
      ],
      "affected_parties": [
        "Laboratory and plant workers",
        "Students",
        "Patients receiving labelled products"
      ]
    },
    "owners": {
      "steward": "Nobody owns the notation; chemical nomenclature bodies set the conventions.",
      "master_systems": [
        "Chemical substance databases"
      ]
    }
  },
  "sources": [
    {
      "id": "wikidata",
      "title": "Wikidata item Q83147: chemical formula",
      "url": "https://www.wikidata.org/wiki/Q83147",
      "url_status": "live",
      "what_it_supports": "identity and sense of the item",
      "checked_by": "wikidata-api"
    },
    {
      "id": "wikipedia-en",
      "title": "Wikipedia: Chemical formula",
      "url": "https://en.wikipedia.org/wiki/Chemical_formula",
      "url_status": "live",
      "what_it_supports": "general description of the item",
      "checked_by": "wikidata-api sitelink"
    }
  ],
  "structure": {
    "bundles": [
      {
        "id": "understand",
        "name": "Understand",
        "description": "What a chemical formula is.",
        "rationale": "Science.",
        "layers": [
          {
            "id": "definition",
            "name": "Definition",
            "description": "Definition.",
            "findings": [
              {
                "id": "definition-finding",
                "name": "Definition",
                "description": "Definition.",
                "questions": [
                  {
                    "text": "What is a chemical formula, and how does it differ from a name, an equation and a structural diagram?",
                    "kind": "definition"
                  },
                  {
                    "text": "Is the question about a kind of formula, notation rules, ionic conventions or a calculation?",
                    "kind": "boundary"
                  }
                ]
              }
            ]
          },
          {
            "id": "kinds",
            "name": "Kinds",
            "description": "Kinds.",
            "findings": [
              {
                "id": "kinds-finding",
                "name": "Kinds",
                "description": "Kinds.",
                "questions": [
                  {
                    "text": "What are empirical, raw, molecular, structural and ionic formulas and formula units?",
                    "kind": "definition"
                  },
                  {
                    "text": "Which entry fits the specific kind?",
                    "kind": "action"
                  }
                ]
              }
            ]
          }
        ]
      },
      {
        "id": "rules",
        "name": "Rules",
        "description": "Notation rules.",
        "rationale": "Science.",
        "layers": [
          {
            "id": "iupac",
            "name": "IUPAC",
            "description": "IUPAC rules.",
            "findings": [
              {
                "id": "iupac-finding",
                "name": "IUPAC",
                "description": "IUPAC.",
                "questions": [
                  {
                    "text": "How do IUPAC rules order elements and write charges, hydrates and polymers?",
                    "kind": "provenance"
                  },
                  {
                    "text": "Which references are standard?",
                    "kind": "provenance"
                  }
                ]
              }
            ]
          },
          {
            "id": "ionic",
            "name": "Ionic",
            "description": "Ionic and salt notation.",
            "findings": [
              {
                "id": "ionic-finding",
                "name": "Ionic",
                "description": "Ionic.",
                "questions": [
                  {
                    "text": "How are ionic compounds, generalised salts and binary species written?",
                    "kind": "provenance"
                  },
                  {
                    "text": "Which sources are cited?",
                    "kind": "provenance"
                  }
                ]
              }
            ]
          }
        ]
      },
      {
        "id": "calculate",
        "name": "Calculate",
        "description": "Calculation.",
        "rationale": "Application.",
        "layers": [
          {
            "id": "weight",
            "name": "Weight",
            "description": "Formula weight.",
            "findings": [
              {
                "id": "weight-finding",
                "name": "Weight",
                "description": "Weight.",
                "questions": [
                  {
                    "text": "How is formula weight or molar mass computed from a formula?",
                    "kind": "provenance"
                  },
                  {
                    "text": "Which entry fits molar mass?",
                    "kind": "action"
                  }
                ]
              }
            ]
          },
          {
            "id": "analysis",
            "name": "Analysis",
            "description": "From analysis to formula.",
            "findings": [
              {
                "id": "analysis-finding",
                "name": "Analysis",
                "description": "Analysis.",
                "questions": [
                  {
                    "text": "How are empirical and molecular formulas determined from analysis?",
                    "kind": "provenance"
                  },
                  {
                    "text": "Which entry fits elemental analysis?",
                    "kind": "action"
                  }
                ]
              }
            ]
          }
        ]
      },
      {
        "id": "context",
        "name": "Context",
        "description": "History and computing.",
        "rationale": "Context.",
        "layers": [
          {
            "id": "history",
            "name": "History",
            "description": "History.",
            "findings": [
              {
                "id": "history-finding",
                "name": "History",
                "description": "History.",
                "questions": [
                  {
                    "text": "How did formula notation develop from Berzelius to modern conventions?",
                    "kind": "provenance"
                  },
                  {
                    "text": "Which entry fits the history of chemistry?",
                    "kind": "action"
                  }
                ]
              }
            ]
          },
          {
            "id": "computing",
            "name": "Computing",
            "description": "Computing.",
            "findings": [
              {
                "id": "computing-finding",
                "name": "Computing",
                "description": "Computing.",
                "questions": [
                  {
                    "text": "How are formulas represented in databases and line notations such as SMILES?",
                    "kind": "provenance"
                  },
                  {
                    "text": "Which entry fits SMILES?",
                    "kind": "action"
                  }
                ]
              }
            ]
          }
        ]
      }
    ]
  },
  "openQuestions": [
    "Should formula unit and formula weight be separate primary entries?",
    "How should chemistry references be linked?",
    "The registry entry has merged aliases naming notation kinds and a derived quantity; should they be split off?"
  ],
  "statistics": {
    "bundles": 4,
    "layers": 8,
    "findings": 8,
    "questions": 16
  }
}