2mo

Python SDK requires an API key. Create one in Settings → API Keys, then set OURO_API_KEY.

python

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"))
 
file_id = "cced63dd-3487-4dcb-89eb-f5e02b2f2eea"
 
# Retrieve file metadata and signed URL
f = ouro.files.retrieve(file_id)
print(f.name, f.visibility)
 
data = f.read_data()  # fetches signed URL
print(data.url)

Fe4Mn3B4 (P-62m) 1 - phonon dispersion

Calculate phonon dispersion and return band structure plot

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.07 THz

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.png file

ARR license

1 input asset

.cif file
Fe4Mn3B4 (requested SG: P31m #157, calculated SG: P-62m #189, optimized: 158 steps, cell relaxed (isotropic))
2mo

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