Slot: miller_indices
Miller indices of the modelled surface facet (e.g. "(111)", "(110)", "(100)").
URI: coremeta4cat:miller_indices Alias: miller_indices
Applicable Classes
| Name | Description | Modifies Slot |
|---|---|---|
| Surfaces | Surface properties of a catalyst computed from a periodic slab model, including surface energy, Miller index, slab thickness, and vacuum spacing. Central to heterogeneous catalysis modelling. |
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:miller_indices |
| native | coremeta4cat:miller_indices |
LinkML Source
name: miller_indices
description: Miller indices of the modelled surface facet (e.g. "(111)", "(110)",
"(100)").
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
rank: 1000
slot_uri: coremeta4cat:miller_indices
alias: miller_indices
domain_of:
- Surfaces
range: string
multivalued: true