Class: ThermodynamicStability

Thermodynamic stability property

classDiagram class ThermodynamicStability click ThermodynamicStability href "../ThermodynamicStability/" CalculatedProperty <|-- ThermodynamicStability click CalculatedProperty href "../CalculatedProperty/" ThermodynamicStability : competing_phases ThermodynamicStability : energy_above_hull ThermodynamicStability : formation_energy ThermodynamicStability : identifier ThermodynamicStability : phase_diagram_type ThermodynamicStability : reference_energies

Inheritance

CatCoreEntity
- CalculatedProperty
  - ThermodynamicStability

Slots

Name	Cardinality and Range	Description	Inheritance
formation_energy	* Float	Formation energy per atom	direct
reference_energies	* String	Reference elemental energies	direct
energy_above_hull	* Float	Energy above convex hull	direct
phase_diagram_type	* String	Phase diagram type (e	direct
competing_phases	* String	Competing phase list	direct
identifier	0..1 String	Unique identifier for the entity	CatCoreEntity

Identifier and Mapping Information

Schema Source

from schema: https://w3id.org/nfdi4cat/catcore

Mappings

Mapping Type	Mapped Value
self	catcore:ThermodynamicStability
native	catcore:ThermodynamicStability

LinkML Source

Direct

name: ThermodynamicStability
description: Thermodynamic stability property
from_schema: https://w3id.org/nfdi4cat/catcore
is_a: CalculatedProperty
slots:
- formation_energy
- reference_energies
- energy_above_hull
- phase_diagram_type
- competing_phases
class_uri: catcore:ThermodynamicStability

Induced

name: ThermodynamicStability
description: Thermodynamic stability property
from_schema: https://w3id.org/nfdi4cat/catcore
is_a: CalculatedProperty
attributes:
  formation_energy:
    name: formation_energy
    description: Formation energy per atom
    from_schema: https://w3id.org/nfdi4cat/catcore
    rank: 1000
    slot_uri: catcore:formation_energy
    alias: formation_energy
    owner: ThermodynamicStability
    domain_of:
    - ThermodynamicStability
    range: float
    multivalued: true
    unit:
      ucum_code: eV
  reference_energies:
    name: reference_energies
    description: Reference elemental energies
    from_schema: https://w3id.org/nfdi4cat/catcore
    rank: 1000
    slot_uri: catcore:reference_energies
    alias: reference_energies
    owner: ThermodynamicStability
    domain_of:
    - ThermodynamicStability
    range: string
    multivalued: true
  energy_above_hull:
    name: energy_above_hull
    description: Energy above convex hull
    from_schema: https://w3id.org/nfdi4cat/catcore
    rank: 1000
    slot_uri: catcore:energy_above_hull
    alias: energy_above_hull
    owner: ThermodynamicStability
    domain_of:
    - ThermodynamicStability
    range: float
    multivalued: true
    unit:
      ucum_code: eV
  phase_diagram_type:
    name: phase_diagram_type
    description: Phase diagram type (e.g., binary, ternary)
    from_schema: https://w3id.org/nfdi4cat/catcore
    rank: 1000
    slot_uri: catcore:phase_diagram_type
    alias: phase_diagram_type
    owner: ThermodynamicStability
    domain_of:
    - ThermodynamicStability
    range: string
    multivalued: true
  competing_phases:
    name: competing_phases
    description: Competing phase list
    from_schema: https://w3id.org/nfdi4cat/catcore
    rank: 1000
    slot_uri: catcore:competing_phases
    alias: competing_phases
    owner: ThermodynamicStability
    domain_of:
    - ThermodynamicStability
    range: string
    multivalued: true
  identifier:
    name: identifier
    description: Unique identifier for the entity
    from_schema: https://w3id.org/nfdi4cat/catcore
    rank: 1000
    slot_uri: catcore:identifier
    alias: identifier
    owner: ThermodynamicStability
    domain_of:
    - CatCoreEntity
    range: string
class_uri: catcore:ThermodynamicStability