Enum: MaterialPropertyPredictionType

Material properties that are commonly targeted for computational prediction in materials discovery and design

URI: valuesets:MaterialPropertyPredictionType

Permissible Values

Value	Title	Meaning	Description	Broad Mappings
BAND_GAP			Energy difference between the valence band and conduction band in a semiconductor or insulator
ELASTIC_MODULUS			Measure of material stiffness defined as the ratio of stress to strain in the elastic regime	PATO:0001031
THERMAL_CONDUCTIVITY	heat conductivity	PATO:0001756	Ability of a material to conduct heat, measured in watts per meter-kelvin
DIELECTRIC_CONSTANT			Ratio of the permittivity of a material to the permittivity of free space
MAGNETIC_MOMENT			Magnetic dipole moment of a material arising from electron spin and orbital contributions
FORMATION_ENERGY			Energy required to form a compound from its constituent elements in their standard states
SURFACE_ENERGY			Excess energy at the surface of a material relative to its bulk
DEFECT_ENERGY			Energy associated with the formation or migration of point defects and dislocations
PHASE_STABILITY			Thermodynamic stability of a material phase relative to competing phases
MECHANICAL_STRENGTH			Maximum stress a material can withstand before failure under applied load	PATO:0001230

Slots

Name	Description
material_property_prediction_type	Types of material properties targeted for computational prediction

Identifier and Mapping Information

Schema Source

from schema: https://w3id.org/valuesets

LinkML Source

name: MaterialPropertyPredictionType
instantiates:
- valuesets_meta:ValueSetEnumDefinition
description: Material properties that are commonly targeted for computational prediction
  in materials discovery and design
title: Material Property Prediction Type
from_schema: https://w3id.org/valuesets
contributors:
- orcid:0000-0002-6601-2165
- https://github.com/anthropics/claude-code
status: DRAFT
rank: 1000
permissible_values:
  BAND_GAP:
    text: BAND_GAP
    description: Energy difference between the valence band and conduction band in
      a semiconductor or insulator
  ELASTIC_MODULUS:
    text: ELASTIC_MODULUS
    description: Measure of material stiffness defined as the ratio of stress to strain
      in the elastic regime
    broad_mappings:
    - PATO:0001031
  THERMAL_CONDUCTIVITY:
    text: THERMAL_CONDUCTIVITY
    description: Ability of a material to conduct heat, measured in watts per meter-kelvin
    meaning: PATO:0001756
    title: heat conductivity
  DIELECTRIC_CONSTANT:
    text: DIELECTRIC_CONSTANT
    description: Ratio of the permittivity of a material to the permittivity of free
      space
  MAGNETIC_MOMENT:
    text: MAGNETIC_MOMENT
    description: Magnetic dipole moment of a material arising from electron spin and
      orbital contributions
  FORMATION_ENERGY:
    text: FORMATION_ENERGY
    description: Energy required to form a compound from its constituent elements
      in their standard states
  SURFACE_ENERGY:
    text: SURFACE_ENERGY
    description: Excess energy at the surface of a material relative to its bulk
  DEFECT_ENERGY:
    text: DEFECT_ENERGY
    description: Energy associated with the formation or migration of point defects
      and dislocations
  PHASE_STABILITY:
    text: PHASE_STABILITY
    description: Thermodynamic stability of a material phase relative to competing
      phases
  MECHANICAL_STRENGTH:
    text: MECHANICAL_STRENGTH
    description: Maximum stress a material can withstand before failure under applied
      load
    broad_mappings:
    - PATO:0001230