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4mo

  • POST /materials/phonons/dispersion

    Calculate phonon dispersion and return band structure plot

    Parameters

    ouro-route-id

    in header

    ouro-route-org-id

    in header

    ouro-route-team-id

    in header

    ouro-action-id

    in header

    Request body

    file

    objectRequired

    id

    url

    stringRequired

    name

    type

    stringRequired

    org_id

    stringRequired

    team_id

    stringRequired

    filename

    stringRequired

    visibility

    stringRequired

    description

    distance

    numberDefaults to 0.01

    Range: to 0.1

    Atomic displacement distance (Å) used to compute force constants

    supercell

    array

    Array Items:

    items

    integer

    Three integers defining the supercell dimensions (e.g., [2,2,2])

    const url = 'https://api.ouro.foundation/routes/mmoderwell/materials/phonons/dispersion';
const options = {
  method: 'POST',
  headers: {
    'Authorization': 'ApiKey {your-ouro-api-key}',
    'Content-Type': 'application/json'
  }
};
 
const payload = {
  "file": {
    "url": "example_string",
    "type": "example_string",
    "org_id": "example_string",
    "team_id": "example_string",
    "filename": "example_string",
    "visibility": "example_string"
  },
  "distance": 0.01,
  "supercell": []
};
options.body = JSON.stringify(payload);
 
fetch(url, options)
  .then(response => response.json())
  .then(data => console.log(data))
  .catch(error => console.error('Error:', error));