Slot: fermi_energy
Fermi energy (chemical potential of electrons) in the calculated system.
URI: coremeta4cat:fermi_energy Alias: fermi_energy
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: Float
-
Multivalued: True
Identifier and Mapping Information
Schema Source
- from schema: https://w3id.org/nfdi4cat/coremeta4cat
Mappings
| Mapping Type | Mapped Value |
|---|---|
| self | coremeta4cat:fermi_energy |
| native | coremeta4cat:fermi_energy |
LinkML Source
name: fermi_energy
description: Fermi energy (chemical potential of electrons) in the calculated system.
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
slot_uri: coremeta4cat:fermi_energy
alias: fermi_energy
domain_of:
- ElectronicStructure
range: float
multivalued: true
unit:
ucum_code: eV