@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix matsci: <https://w3id.org/matsci-sam/metadata#> .

<https://w3id.org/matsci-sam/vocabulary/formation_energy> a prov:Entity ;
  rdfs:label "formation energy" ;
  <https://w3id.org/matsci-sam/metadata#created> "2026-07-26 11:16:15.877172" .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/definitions/1> a prov:Entity, matsci:Definition ;
  rdfs:label "Definition 1" ;
  <https://w3id.org/matsci-sam/metadata#definitionNumber> "1" .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/definitions/2> a prov:Entity, matsci:Definition ;
  rdfs:label "Definition 2" ;
  <https://w3id.org/matsci-sam/metadata#definitionNumber> "2" .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/definitions/1/revisions/1> a prov:Entity, matsci:DefinitionRevision ;
  rdfs:label "Definition 1 · revision 1 (current)" ;
  prov:value "The energy released or required when a compound forms from its constituent elements, used to judge whether a predicted structure is thermodynamically favorable." ;
  <https://w3id.org/matsci-sam/metadata#definitionNumber> "1" ;
  <https://w3id.org/matsci-sam/metadata#version> "1" ;
  <https://w3id.org/matsci-sam/metadata#published> "2026-07-26 11:16:15.877172+00" ;
  <https://w3id.org/matsci-sam/metadata#source> "initial" ;
  <https://w3id.org/matsci-sam/metadata#score> "0" ;
  <https://w3id.org/matsci-sam/metadata#current> "yes" ;
  <https://w3id.org/matsci-sam/metadata#legacyIncomplete> "no" ;
  <https://w3id.org/matsci-sam/metadata#example> "Screening pipelines rank candidate cathode compositions by formation energy before any material is synthesized." ;
  <https://w3id.org/matsci-sam/metadata#editor> "Christopher Rauch" ;
  <https://w3id.org/matsci-sam/metadata#changeNote> "Initial contribution" .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#act_revision_85> a prov:Activity ;
  rdfs:label "Write definition" ;
  <https://w3id.org/matsci-sam/metadata#at> "2026-07-26 11:16:15.877172+00" ;
  <https://w3id.org/matsci-sam/metadata#source> "initial" .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#user_81> a prov:Person ;
  rdfs:label "Christopher Rauch" .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/definitions/2/revisions/1> a prov:Entity, matsci:DefinitionRevision ;
  rdfs:label "Definition 2 · revision 1 (current)" ;
  prov:value "The difference in total energy between a compound and its constituent elements in their respective standard states, typically expressed in electronvolts (eV) per atom or per formula unit. A negative formation energy indicates thermodynamic stability relative to the precursors. Because values may be reported using different normalization bases, datasets are not directly comparable unless the energy basis is explicitly stated." ;
  <https://w3id.org/matsci-sam/metadata#definitionNumber> "2" ;
  <https://w3id.org/matsci-sam/metadata#version> "1" ;
  <https://w3id.org/matsci-sam/metadata#published> "2026-07-26 11:18:59.01725+00" ;
  <https://w3id.org/matsci-sam/metadata#source> "ai_refinement" ;
  <https://w3id.org/matsci-sam/metadata#score> "0" ;
  <https://w3id.org/matsci-sam/metadata#current> "yes" ;
  <https://w3id.org/matsci-sam/metadata#legacyIncomplete> "no" ;
  <https://w3id.org/matsci-sam/metadata#example> "To ensure consistency across high-throughput datasets, researchers must verify whether predicted cathode formation energies are reported in eV/atom or eV/formula unit before comparing phase stability." ;
  <https://w3id.org/matsci-sam/metadata#editor> "Christopher Rauch" ;
  <https://w3id.org/matsci-sam/metadata#changeNote> "Accepted AI refinement round 2" ;
  <https://w3id.org/matsci-sam/metadata#model> "gemma4:26b" ;
  <https://w3id.org/matsci-sam/metadata#prompt> "You are a materials science editor reviewing a user's draft definition of a term. Improve the draft: keep the user's intent and any correct content, but make the definition precise, concise, and consistent with how the term is used in the materials science literature. Correct factual errors. Return a revised definition and one example sentence using the term; improve the user's example if it is weak, or keep its substance if it is good. If the user gives feedback on your previous suggestion, revise your suggestion to address that feedback while keeping the definition technically accurate." .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#act_revision_86> a prov:Activity ;
  rdfs:label "Accept AI suggestion" ;
  <https://w3id.org/matsci-sam/metadata#at> "2026-07-26 11:18:59.01725+00" ;
  <https://w3id.org/matsci-sam/metadata#source> "ai_refinement" .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#model_gemma4%3A26b> a prov:SoftwareAgent ;
  rdfs:label "gemma4:26b" .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#prompt_revision_86> a prov:Entity ;
  rdfs:label "Stored prompt for definition 2 · revision 1" ;
  prov:value "You are a materials science editor reviewing a user's draft definition of a term. Improve the draft: keep the user's intent and any correct content, but make the definition precise, concise, and consistent with how the term is used in the materials science literature. Correct factual errors. Return a revised definition and one example sentence using the term; improve the user's example if it is weak, or keep its substance if it is good. If the user gives feedback on your previous suggestion, revise your suggestion to address that feedback while keeping the definition technically accurate." .
_:example_13e298f22ee3d3b9_1_1 a prov:Entity ;
  rdfs:label "Definition 1 · example 1" ;
  prov:value "Screening pipelines rank candidate cathode compositions by formation energy before any material is synthesized." ;
  <https://w3id.org/matsci-sam/metadata#definitionNumber> "1" ;
  <https://w3id.org/matsci-sam/metadata#exampleNumber> "1" ;
  <https://w3id.org/matsci-sam/metadata#legacyBackfill> "yes" ;
  <https://w3id.org/matsci-sam/metadata#origin> "Imported legacy example; exact source, actor, and time were not recorded" .
_:publishExample_13e298f22ee3d3b9_1_1 a prov:Activity ;
  rdfs:label "Import legacy example" ;
  <https://w3id.org/matsci-sam/metadata#legacyBackfill> "yes" ;
  <https://w3id.org/matsci-sam/metadata#origin> "Legacy import; publication time was not recorded" .
_:example_13e298f22ee3d3b9_2_1 a prov:Entity ;
  rdfs:label "Definition 2 · example 1" ;
  prov:value "To ensure consistency across high-throughput datasets, researchers must verify whether predicted cathode formation energies are reported in eV/atom or eV/formula unit before comparing phase stability." ;
  <https://w3id.org/matsci-sam/metadata#definitionNumber> "2" ;
  <https://w3id.org/matsci-sam/metadata#exampleNumber> "1" ;
  <https://w3id.org/matsci-sam/metadata#legacyBackfill> "yes" ;
  <https://w3id.org/matsci-sam/metadata#origin> "Imported legacy example; exact source, actor, and time were not recorded" .
_:publishExample_13e298f22ee3d3b9_2_1 a prov:Activity ;
  rdfs:label "Import legacy example" ;
  <https://w3id.org/matsci-sam/metadata#legacyBackfill> "yes" ;
  <https://w3id.org/matsci-sam/metadata#origin> "Legacy import; publication time was not recorded" .
_:featureExample_13e298f22ee3d3b9_1_1 a prov:Activity ;
  rdfs:label "Import featured state for example 1" ;
  <https://w3id.org/matsci-sam/metadata#decision> "import legacy featured state" ;
  <https://w3id.org/matsci-sam/metadata#legacyBackfill> "yes" ;
  <https://w3id.org/matsci-sam/metadata#origin> "Selector and selection time were not recorded" .
_:featuredExample_13e298f22ee3d3b9_1_1 a prov:Entity ;
  rdfs:label "Featured example 1" ;
  <https://w3id.org/matsci-sam/metadata#definitionNumber> "1" ;
  <https://w3id.org/matsci-sam/metadata#exampleNumber> "1" ;
  <https://w3id.org/matsci-sam/metadata#state> "active" ;
  <https://w3id.org/matsci-sam/metadata#legacyBackfill> "yes" ;
  <https://w3id.org/matsci-sam/metadata#origin> "Selection time was not recorded" .
_:featureExample_13e298f22ee3d3b9_2_2 a prov:Activity ;
  rdfs:label "Import featured state for example 1" ;
  <https://w3id.org/matsci-sam/metadata#decision> "import legacy featured state" ;
  <https://w3id.org/matsci-sam/metadata#legacyBackfill> "yes" ;
  <https://w3id.org/matsci-sam/metadata#origin> "Selector and selection time were not recorded" .
_:featuredExample_13e298f22ee3d3b9_2_2 a prov:Entity ;
  rdfs:label "Featured example 1" ;
  <https://w3id.org/matsci-sam/metadata#definitionNumber> "2" ;
  <https://w3id.org/matsci-sam/metadata#exampleNumber> "1" ;
  <https://w3id.org/matsci-sam/metadata#state> "active" ;
  <https://w3id.org/matsci-sam/metadata#legacyBackfill> "yes" ;
  <https://w3id.org/matsci-sam/metadata#origin> "Selection time was not recorded" .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#act_refine_10> a prov:Activity ;
  rdfs:label "Refine definition (round 1)" ;
  <https://w3id.org/matsci-sam/metadata#at> "2026-07-26 11:16:38.404948+00" ;
  <https://w3id.org/matsci-sam/metadata#model> "gemma4:26b" ;
  <https://w3id.org/matsci-sam/metadata#status> "superseded" .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#prompt_c6cf56cb021e9916> a prov:Entity ;
  rdfs:label "prompt: refine" ;
  prov:value "You are a materials science editor reviewing a user's draft definition of a term. Improve the draft: keep the user's intent and any correct content, but make the definition precise, concise, and consistent with how the term is used in the materials science literature. Correct factual errors. Return a revised definition and one example sentence using the term; improve the user's example if it is weak, or keep its substance if it is good. If the user gives feedback on your previous suggestion, revise your suggestion to address that feedback while keeping the definition technically accurate." ;
  <https://w3id.org/matsci-sam/metadata#hash> "c6cf56cb021e9916" ;
  <https://w3id.org/matsci-sam/metadata#promptKey> "refine" .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#refine_sug_10> a prov:Entity ;
  rdfs:label "Suggestion (round 1)" ;
  prov:value "The difference in total energy between a compound and its constituent elements in their respective standard states. A negative formation energy indicates that the compound is more stable than its precursors, signifying thermodynamic favorability." ;
  <https://w3id.org/matsci-sam/metadata#example> "High-throughput screening pipelines rank candidate cathode compositions by comparing their predicted formation energies to those of the elemental constituents to identify thermodynamically stable phases." .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#act_refine_11> a prov:Activity ;
  rdfs:label "Refine definition (round 2)" ;
  <https://w3id.org/matsci-sam/metadata#at> "2026-07-26 11:18:06.165728+00" ;
  <https://w3id.org/matsci-sam/metadata#model> "gemma4:26b" ;
  <https://w3id.org/matsci-sam/metadata#status> "accepted" .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#refine_feedback_11> a prov:Entity ;
  rdfs:label "Refine feedback (round 2)" ;
  prov:value "Keep the reference to elemental standard states, but state the normalization explicitly: formation energy is reported either per atom or per formula unit, and values from different datasets are not comparable unless the basis is given. Mention that computed values are usually reported in eV." .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#refine_sug_11> a prov:Entity ;
  rdfs:label "Suggestion (round 2)" ;
  prov:value "The difference in total energy between a compound and its constituent elements in their respective standard states, typically expressed in electronvolts (eV) per atom or per formula unit. A negative formation energy indicates thermodynamic stability relative to the precursors. Because values may be reported using different normalization bases, datasets are not directly comparable unless the energy basis is explicitly stated." ;
  <https://w3id.org/matsci-sam/metadata#example> "To ensure consistency across high-throughput datasets, researchers must verify whether predicted cathode formation energies are reported in eV/atom or eV/formula unit before comparing phase stability." .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/definitions/1/revisions/1> prov:specializationOf <https://w3id.org/matsci-sam/vocabulary/formation_energy/definitions/1> .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/definitions/2/revisions/1> prov:specializationOf <https://w3id.org/matsci-sam/vocabulary/formation_energy/definitions/2> .

<https://w3id.org/matsci-sam/vocabulary/formation_energy/definitions/1/revisions/1> prov:wasDerivedFrom <https://w3id.org/matsci-sam/vocabulary/formation_energy> .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/definitions/1/revisions/1> prov:wasGeneratedBy <https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#act_revision_85> .
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<https://w3id.org/matsci-sam/vocabulary/formation_energy/definitions/2/revisions/1> prov:wasDerivedFrom <https://w3id.org/matsci-sam/vocabulary/formation_energy> .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/definitions/2/revisions/1> prov:wasDerivedFrom <https://w3id.org/matsci-sam/vocabulary/formation_energy/definitions/1/revisions/1> .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/definitions/2/revisions/1> prov:wasGeneratedBy <https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#act_revision_86> .
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_:example_13e298f22ee3d3b9_1_1 prov:wasGeneratedBy _:publishExample_13e298f22ee3d3b9_1_1 .
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_:example_13e298f22ee3d3b9_2_1 prov:wasGeneratedBy _:publishExample_13e298f22ee3d3b9_2_1 .
_:publishExample_13e298f22ee3d3b9_2_1 prov:used <https://w3id.org/matsci-sam/vocabulary/formation_energy/definitions/2> .
_:featureExample_13e298f22ee3d3b9_1_1 prov:used _:example_13e298f22ee3d3b9_1_1 .
_:featureExample_13e298f22ee3d3b9_1_1 prov:used <https://w3id.org/matsci-sam/vocabulary/formation_energy/definitions/1> .
_:featuredExample_13e298f22ee3d3b9_1_1 prov:wasGeneratedBy _:featureExample_13e298f22ee3d3b9_1_1 .
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_:featureExample_13e298f22ee3d3b9_2_2 prov:used _:example_13e298f22ee3d3b9_2_1 .
_:featureExample_13e298f22ee3d3b9_2_2 prov:used <https://w3id.org/matsci-sam/vocabulary/formation_energy/definitions/2> .
_:featuredExample_13e298f22ee3d3b9_2_2 prov:wasGeneratedBy _:featureExample_13e298f22ee3d3b9_2_2 .
_:featuredExample_13e298f22ee3d3b9_2_2 prov:wasDerivedFrom _:example_13e298f22ee3d3b9_2_1 .
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<https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#act_refine_11> prov:wasAssociatedWith <https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#user_81> .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#act_refine_11> prov:wasAssociatedWith <https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#model_gemma4%3A26b> .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#act_refine_11> prov:used <https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#prompt_c6cf56cb021e9916> .
<https://w3id.org/matsci-sam/vocabulary/formation_energy/provenance#act_refine_11> prov:used <https://w3id.org/matsci-sam/vocabulary/formation_energy/definitions/1/revisions/1> .
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