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Slot: band_path

High-symmetry k-path through the Brillouin zone used to plot the

band structure (e.g. "Gamma-X-M-Gamma-R" for cubic, following SeeK-path convention).

URI: coremeta4cat:band_path Alias: band_path

Applicable Classes

Name Description Modifies Slot
ElectronicStructure Electronic band structure and density of states, characterising the
electronic properties of a catalyst relevant to activity descriptors
(d-band centre, band gap, Fermi energy).		 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:band_path
native coremeta4cat:band_path

LinkML Source

name: band_path
description: 'High-symmetry k-path through the Brillouin zone used to plot the

  band structure (e.g. "Gamma-X-M-Gamma-R" for cubic, following SeeK-path convention).'
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
slot_uri: coremeta4cat:band_path
alias: band_path
domain_of:
- ElectronicStructure
range: string
multivalued: true