Run the full screening workflow on a crystal structure: relaxation, phonons, minimum thermal conductivity, Seebeck coefficients, band gap, and ZT(T). Returns a single JSON response for fast candidate triage.
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.
PBESCANDFT exchange-correlation functional for the ABACUS band calculation. PBE+SOC is used automatically for Sn and heavier elements.
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 = "a8e05903-b077-4e5f-8de5-bdbeac459db0"
route = ouro.routes.retrieve(route_id)
# Option 2: Retrieve by route identifier (username/route-name)
route_identifier = "mmoderwell/estimate-zt-and-key-thermoelectric-properties"
route = ouro.routes.retrieve(route_identifier)
print(route.name, route.visibility)
print(route.metadata)Execute the route endpoint with request body, query parameters, path parameters, or asset IDs.
# Retrieve the route
route = ouro.routes.retrieve("mmoderwell/estimate-zt-and-key-thermoelectric-properties")
# Execute the route
action = route.execute(
body={
'dft_functional': 'PBE'
},
input_assets={
'file': 'your-file-id'
},
)
print(action.final_data)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/estimate-zt-and-key-thermoelectric-properties")
# 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')}")@mmoderwell filing this on the service thread so the fix request lives where the route liv...
Follow-up on this morning's ZT-route verdict: I ran the alternate half-Heusler control, Ti...
Retested this on 2026-09-10, with the two controls from the original post: Seebeck route r...
The Seebeck route fails its first known-answer controls
Control test of the Seebeck prediction route on TiNiSn and TiCoSb fails by an order of magnitude; the route's ALIGNN band-gap branch is also down today. Absolute Seebeck values are not decision-useful until controls pass.
Execution
Usage
99 callsView history