Slot: reference_structure
Reference (paraelectric/centrosymmetric) structure used as the zero-
polarization endpoint in the Berry-phase polarization calculation.
URI: coremeta4cat:reference_structure Alias: reference_structure
Applicable Classes
| Name | Description | Modifies Slot |
|---|---|---|
| Ferroelectrics | Ferroelectric properties computed from DFT, including spontaneous polarization, switching barrier, and coercive field. Relevant for ferroelectric-photocatalyst design. |
no |
Properties
-
Range: String
-
Multivalued: True
Identifier and Mapping Information
Schema Source
- from schema: https://w3id.org/nfdi4cat/coremeta4cat
Mappings
| Mapping Type | Mapped Value |
|---|---|
| self | coremeta4cat:reference_structure |
| native | coremeta4cat:reference_structure |
LinkML Source
name: reference_structure
description: 'Reference (paraelectric/centrosymmetric) structure used as the zero-
polarization endpoint in the Berry-phase polarization calculation.'
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
slot_uri: coremeta4cat:reference_structure
alias: reference_structure
domain_of:
- Ferroelectrics
range: string
multivalued: true