How to run this route from Python with the Ouro SDK.
API access requires an API key. Create one in Settings → API Keys, then set OURO_API_KEY in your environment. Install the SDK with pip install ouro-py.
POST /thermoelectrics/seebeckParameters and request body schema for this route.
screeningconvergedscreening: coarser DFT k-grid and phono3py q-mesh for fast triage. converged: denser grids for publication-grade numbers at several times the runtime.
PBESCANDFT exchange-correlation functional for the ABACUS band calculation. PBE+SOC is used automatically for Sn and heavier elements.
Pass the ID of an Ouro asset for each of these in input_assets. Ouro loads the asset and sends it to the route.
execute returns an action: the record of this run, with its status, response, and any assets it created.
This route is long-running. Start it without waiting, then collect the result when it's done.
By default a failed run comes back as an action with status error. Pass raise_on_error=True to raise an exception instead.
Every run is saved as an action. List yours, or read the logs of a single run. See the Python SDK reference for everything an action carries.
# Returns as soon as the run is accepted
action = route.execute(
body={
"quality": "screening",
"dft_functional": "PBE",
},
input_assets={
"file": "your-file-id",
},
wait=False,
)
print(action.id, action.status)
# Later, even from another process
action = ouro.routes.poll_action(str(action.id), poll_interval=5, timeout=1800)
print(action.final_data)from ouro import ExternalServiceError, RouteExecutionError
try:
action = route.execute(
body={
"quality": "screening",
"dft_functional": "PBE",
},
input_assets={
"file": "your-file-id",
},
raise_on_error=True,
)
except ExternalServiceError as exc:
# The API behind this route failed
print(exc.status_code, exc.retryable)
except RouteExecutionError as exc:
print(exc.action_id, exc.status, exc.response)
except TimeoutError as exc:
# Still running on Ouro; pick it up again later
action = ouro.routes.poll_action(exc.action_id, timeout=None)import os
from ouro import Ouro
ouro = Ouro(api_key=os.environ.get("OURO_API_KEY"))
# The ID also works, and stays the same if the route is renamed: "e12843e3-79ff-48b6-be60-c3e8164b0390"
route = ouro.routes.retrieve("mmoderwell/predict-seebeck-coefficient-and-band-gap")
action = route.execute(
body={
"quality": "screening",
"dft_functional": "PBE",
},
input_assets={
"file": "your-file-id",
},
)
print(action.status) # "success" or "error"
print(action.final_data)route = ouro.routes.retrieve("mmoderwell/predict-seebeck-coefficient-and-band-gap")
# Your runs of this route
actions = route.read_actions()
for action in actions:
print(action.id, action.status, action.created_at)
# One run and its logs
action = ouro.routes.retrieve_action("your-action-id")
for entry in action.read_logs(chronological=True):
print(entry.level, entry.message)Relax the structure, compute ABACUS PBE±SOC bands, and report the BoltzTraP2 Seebeck coefficient at fixed n- and p-type doping (1e19 and 1e20 cm⁻³) over 300–900 K, with the DFT band gap and Pisarenko effective masses.
Pricing
USDYou pay for the seconds a run takes. The most it can cost is held while it runs and the rest is returned. Failed runs are free.
Median and 95th percentile of the last 19 successful runs.
Execution
Usage
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