Export the single best stored candidate for an exact stoichiometry as a CIF file. Integer multiples of the requested composition are included (e.g. Fe2Co also matches Fe4Co2). Optional filters cover crystal system, energy above hull, and dynamical stability. The CIF and response include provenance (ggen, Materials Project, or Alexandria). Use this when a downstream route expects one structure file rather than a ZIP bundle.
Learn how to interact with this route using the Ouro SDK or REST API.
API access requires an API key. Create one in Settings → API Keys, then set OURO_API_KEY in your environment.
Parameters and request body schema for this route.
Exact stoichiometry to export, for example 'Fe2Co' or 'SiO2'. Integer multiples of the same composition (e.g. Fe4Co2 for Fe2Co) are included.
Optional crystal systems to include
Maximum energy above hull in eV/atom
Only consider dynamically stable structures
Get route metadata including name, visibility, description, and endpoint details. You can retrieve by route ID or identifier.
Execute the route endpoint with request body, query parameters, path parameters, or asset IDs.
Get the request and response history for this route. Actions are especially useful for long-running routes where you can poll the status and retrieve the response when ready.
import os
from ouro import Ouro
# Set OURO_API_KEY in your environment or replace os.environ.get("OURO_API_KEY")
ouro = Ouro(api_key=os.environ.get("OURO_API_KEY"))
# Option 1: Retrieve by route ID
route_id = "91146484-2a65-457a-a2fd-6966a9404632"
route = ouro.routes.retrieve(route_id)
# Option 2: Retrieve by route identifier (username/route-name)
route_identifier = "mmoderwell/export-candidate-cif"
route = ouro.routes.retrieve(route_identifier)
print(route.name, route.visibility)
print(route.metadata)# Retrieve the route
route = ouro.routes.retrieve("mmoderwell/export-candidate-cif")
# Execute the route
action = route.execute(
body={
'formula': 'example_string',
'dynamically_stable_only': True
},
)
print(action.final_data)# Retrieve the route
route = ouro.routes.retrieve("mmoderwell/export-candidate-cif")
# Read all actions (request/response history) for this route
actions = route.read_actions()
print(actions)
# Actions are especially useful for long-running routes
# You can poll the status and retrieve the response when ready
for action in actions:
print(f"Action ID: {action['id']}")
print(f"Status: {action['status']}")
print(f"Response: {action.get('response_data')}")Execution
Usage
4 callsView history