Export candidate CIFs · Routes on Ouro

3mo

Export candidate CIFs

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Route documentation

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.

Request format

Parameters and request body schema for this route.

Parameters

ouro-route-org-id

in header

ouro-route-team-id

in header

Request body

system

stringRequired

Chemical system to export

crystal_systems

Optional crystal systems to include

include_metadata

booleanDefaults to true

Include metadata JSON in the ZIP bundle

max_e_above_hull

Maximum energy above hull in eV/atom

dynamically_stable_only

booleanDefaults to true

Only export dynamically stable structures

Retrieve route

Get route metadata including name, visibility, description, and endpoint details. You can retrieve by route ID or identifier.

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 = "fed98533-98c4-490c-b875-abbd118fb09c"
route = ouro.routes.retrieve(route_id)
 
# Option 2: Retrieve by route identifier (username/route-name)
route_identifier = "mmoderwell/export-candidate-cifs"
route = ouro.routes.retrieve(route_identifier)
 
print(route.name, route.visibility)
print(route.metadata)

Use route

Execute the route endpoint with request body, query parameters, path parameters, or asset IDs.

# Retrieve the route
route = ouro.routes.retrieve("mmoderwell/export-candidate-cifs")
 
# Execute the route
action = route.execute(
    body={
        'system': 'example_string',
        'include_metadata': True,
        'dynamically_stable_only': True
    },
)
print(action.final_data)

Read actions

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.

# Retrieve the route
route = ouro.routes.retrieve("mmoderwell/export-candidate-cifs")
 
# 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')}")

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