Create a supercell from a material · Routes on Ouro

8mo

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.

Request body

file

objectRequired

This field is automatically populated by Ouro when using input_asset or constructed with ouro.files.retrieve()

size

stringDefaults to 2x2x2

2x2x2

3x3x3

4x4x4

Predefined supercell size option

symprec

numberDefaults to 0.1

Symmetry precision for structure analysis

angle_tolerance

numberDefaults to 5

Angle tolerance for symmetry finding in degrees (°)

preserve_symmetry

booleanDefaults to true

Whether to preserve symmetry operations in supercell

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 = "0bd98417-bc11-43e6-a67e-f301d57035cc"
route = ouro.routes.retrieve(route_id)
 
# Option 2: Retrieve by route identifier (username/route-name)
route_identifier = "hermes/create-a-supercell-from-a-material"
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, or path parameters.

# Retrieve the route
route = ouro.routes.retrieve("hermes/create-a-supercell-from-a-material")
 
# Use the route with a request body
response = route.use(
    body={
        'file': {
            'url': 'example_string',
            'type': 'example_string',
            'org_id': 'example_string',
            'team_id': 'example_string',
            'filename': 'example_string',
            'visibility': 'example_string'
        },
        'size': '2x2x2',
        'symprec': 0.1,
        'angle_tolerance': 5,
        'preserve_symmetry': True
    }
)
print(response)

Use with `input_asset`

This route accepts a file as input. You can pass an asset using the input_asset parameter and Ouro will handle including it in the request.

# Retrieve the route
route = ouro.routes.retrieve("hermes/create-a-supercell-from-a-material")
 
# Use route with input_asset - Ouro handles passing the file to the route
response = route.use(
    body={
        'size': '2x2x2',
        'symprec': 0.1,
        'angle_tolerance': 5,
        'preserve_symmetry': True
    },
    input_asset={
        "assetId": "your-file-id",
        "assetType": "file"
    },
)
print(response)

File input via body

Alternatively, you can retrieve a file and include its details directly in the request body.

# Retrieve a file to use as input
file = ouro.files.retrieve("your-file-id")  # or "username/file-name"
 
# Use the route with the file in the request body
response = ouro.routes.use(
    "hermes/create-a-supercell-from-a-material",
    body={
        "file": {
            "type": file.metadata.type,
            "filename": file.metadata.name,
            "url": file.data.url
        }
    },
)
print(response)

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("hermes/create-a-supercell-from-a-material")
 
# 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')}")

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.

Request body

file

objectRequired

This field is automatically populated by Ouro when using input_asset or constructed with ouro.files.retrieve()

size

stringDefaults to 2x2x2

2x2x2

3x3x3

4x4x4

Predefined supercell size option

symprec

numberDefaults to 0.1

Symmetry precision for structure analysis

angle_tolerance

numberDefaults to 5

Angle tolerance for symmetry finding in degrees (°)

preserve_symmetry

booleanDefaults to true

Whether to preserve symmetry operations in supercell

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 = "0bd98417-bc11-43e6-a67e-f301d57035cc"
route = ouro.routes.retrieve(route_id)
 
# Option 2: Retrieve by route identifier (username/route-name)
route_identifier = "hermes/create-a-supercell-from-a-material"
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, or path parameters.

# Retrieve the route
route = ouro.routes.retrieve("hermes/create-a-supercell-from-a-material")
 
# Use the route with a request body
response = route.use(
    body={
        'file': {
            'url': 'example_string',
            'type': 'example_string',
            'org_id': 'example_string',
            'team_id': 'example_string',
            'filename': 'example_string',
            'visibility': 'example_string'
        },
        'size': '2x2x2',
        'symprec': 0.1,
        'angle_tolerance': 5,
        'preserve_symmetry': True
    }
)
print(response)

Use with `input_asset`

This route accepts a file as input. You can pass an asset using the input_asset parameter and Ouro will handle including it in the request.

# Retrieve the route
route = ouro.routes.retrieve("hermes/create-a-supercell-from-a-material")
 
# Use route with input_asset - Ouro handles passing the file to the route
response = route.use(
    body={
        'size': '2x2x2',
        'symprec': 0.1,
        'angle_tolerance': 5,
        'preserve_symmetry': True
    },
    input_asset={
        "assetId": "your-file-id",
        "assetType": "file"
    },
)
print(response)

File input via body

Alternatively, you can retrieve a file and include its details directly in the request body.

# Retrieve a file to use as input
file = ouro.files.retrieve("your-file-id")  # or "username/file-name"
 
# Use the route with the file in the request body
response = ouro.routes.use(
    "hermes/create-a-supercell-from-a-material",
    body={
        "file": {
            "type": file.metadata.type,
            "filename": file.metadata.name,
            "url": file.data.url
        }
    },
)
print(response)

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("hermes/create-a-supercell-from-a-material")
 
# 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')}")

services

services

Route documentation

Request format

Request body

file

size

symprec

angle_tolerance

preserve_symmetry

Retrieve route

Use route

Use with `input_asset`

File input via body

Read actions

Route documentation

Request format

Request body

file

size

symprec

angle_tolerance

preserve_symmetry

Retrieve route

Use route

Use with `input_asset`

File input via body

Read actions

Create a supercell from a material

services

services

Route documentation

Request format

Request body

file

size

symprec

angle_tolerance

preserve_symmetry

Retrieve route

Use route

Use with input_asset

File input via body

Read actions

Route documentation

Request format

Request body

file

size

symprec

angle_tolerance

preserve_symmetry

Retrieve route

Use route

Use with input_asset

File input via body

Read actions

Create a supercell from a material

New materials characterization API routes

Use with `input_asset`

Use with `input_asset`