Co3O4 spinel (Fd-3m), 56-atom conventional cell. CORRECTED: rebuilt with pymatgen origin choice 1 (8a=(0,0,0), 16d=(1/8,1/8,1/8), 32e=(0.389,0.389,0.389)). Previous version had overlapping oxygen atoms due to ASE Spacegroup(227, setting=2) bug in 32e symmetry expansion. Min O-O distance now 2.54 Ã… (was 0.32 Ã…).
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Update file metadata (name, description, visibility, etc.) and optionally replace the file data with a new file. Requires write or admin permission.
Permanently delete a file from the platform. Requires admin permission. This action cannot be undone.
# Delete a file (requires admin permission)
ouro.files.delete(id=file_id)# Get signed URL to download the file
file_data = file.read_data()
print(file_data.url)
# Download the file using requests
import requests
response = requests.get(file_data.url)
with open('downloaded_file', 'wb') as output_file:
output_file.write(response.content)# Update file metadata
updated = ouro.files.update(
id=file_id,
name="Updated file name",
description="Updated description",
visibility="private"
)
# Update file data with a new file
updated = ouro.files.update(
id=file_id,
file_path="./new_file.txt"
)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 = "d4004997-77ec-460f-8bfd-e6727d864c9d"
# Retrieve file metadata
file = ouro.files.retrieve(file_id)
print(file.name, file.visibility)
print(file.metadata)Co3O4 spinel input CIF (Fd-3m, 56-atom conventional cell) - relaxed 2
.cifCell + Ionic relaxation with CHGNet; 0.03 eV/Å threshold; final energy = -365.1885 eV; energy change = -39.3694 eV; symmetry: Fd-3m → P1
Co3O4 spinel input CIF (Fd-3m, 56-atom conventional cell) - relaxed 1
.cifCell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -320.4996 eV; energy change = -2115.0730 eV; symmetry: Fd-3m → P1
Co3O4 spinel input CIF (Fd-3m, 56-atom conventional cell) - relaxed
.cifCell + Ionic relaxation with CHGNet; 0.03 eV/Å threshold; final energy = -371.9584 eV; energy change = -46.1393 eV; symmetry: Fd-3m → P1