How to run this route from Python with the Ouro SDK.
API access requires an API key. Create one in Settings โ API Keys, then set OURO_API_KEY in your environment. Install the SDK with pip install ouro-py.
POST /ggen/export/cifParameters 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.
triclinicmonoclinicorthorhombictetragonaltrigonalhexagonalcubicCrystal systems supported by GGen filtering and scoring.
Optional crystal systems to include
Range: 0 to 2
Maximum energy above hull in eV/atom
Only consider dynamically stable structures
Each run saves these to Ouro. Read them by name from action.final_data.
execute returns an action: the record of this run, with its status, response, and any assets it created.
To avoid blocking on a slow run, start it without waiting and collect the result later.
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.
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: "91146484-2a65-457a-a2fd-6966a9404632"
route = ouro.routes.retrieve("mmoderwell/export-candidate-cif")
action = route.execute(
body={
"formula": "example_string",
},
)
print(action.status) # "success" or "error"
print(action.final_data)
# Assets the run created are keyed by output name
file = action.final_data["file"]
print(file["id"])# Returns as soon as the run is accepted
action = route.execute(
body={
"formula": "example_string",
},
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={
"formula": "example_string",
},
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)route = ouro.routes.retrieve("mmoderwell/export-candidate-cif")
# 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)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.
Execution
Usage
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