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import osfrom 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 = "05aaa209-0fd5-4645-bd04-b26a9c2045f3"# Retrieve file metadatafile = ouro.files.retrieve(file_id)print(file.name, file.visibility)print(file.metadata)
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# Get signed URL to download the filefile_data = file.read_data()print(file_data.url)# Download the file using requestsimport requestsresponse = requests.get(file_data.url)with open('downloaded_file', 'wb') as output_file: output_file.write(response.content)
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# Update file metadataupdated = ouro.files.update( id=file_id, name="Updated file name", description="Updated description", visibility="private")# Update file data with a new fileupdated = ouro.files.update( id=file_id, file_path="./new_file.txt")
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# Delete a file (requires admin permission)ouro.files.delete(id=file_id)
tree-gen-2-v12.cif - relaxed
Get basic structural information from a CIF file
file.cif→JSON
10mo
Calculate phonon dispersion and return band structure plot
file.cif→file.png
9mo
Calculate the estimated raw material cost per kg
file.cif→JSON
8mo
Relax a crystal structure with animation
file.cif→file.mp4
8mo
Predict static dielectric function (εx)
file.cif→JSON
8d
Relax a crystal structure and create a post
file.cif→post
8mo
Get a detailed description of a crystal structure
file.cif→JSON
8mo
Relax a crystal structure
file.cif→file.cif
9mo
Calculate magnetic anisotropy energy
file.cif→JSON
3mo
Predict electronic dielectric function (ε∞x)
file.cif→JSON
8d
Predict maximum dielectric constant from DFPT
file.cif→JSON
8d
Predict maximum piezoelectric strain coefficient dij
file.cif→JSON
8d
Predict Voigt bulk modulus
file.cif→JSON
8d
Predict Voigt shear modulus
file.cif→JSON
8d
Predict exfoliation energy for layered materials
file.cif→JSON
8d
Predict n-type Seebeck coefficient
file.cif→JSON
8d
Predict p-type Seebeck coefficient
file.cif→JSON
8d
Predict n-type thermoelectric power factor
file.cif→JSON
8d
Predict total magnetic moment per cell
file.cif→JSON
8d
Predict maximum electric field gradient
file.cif→JSON
8d
Predict superconducting critical temperature
file.cif→JSON
8d
Predict electronic DOS at Fermi level
file.cif→JSON
8d
Predict Debye temperature for superconductor analysis
file.cif→JSON
8d
Predict Eliashberg spectral function α²F(ω)
file.cif→JSON
8d
Predict phonon density of states
file.cif→JSON
8d
Predict optimal k-point length for DFT convergence
file.cif→JSON
8d
Predict oxygen adsorption energy (TinNet)
file.cif→JSON
8d
Predict nitrogen adsorption energy (TinNet)
file.cif→JSON
8d
Predict OH adsorption energy (TinNet)
file.cif→JSON
8d
Predict oxygen adsorption energy (AGRA)
file.cif→JSON
8d
Predict OH adsorption energy (AGRA)
file.cif→JSON
8d
Predict CHO adsorption energy (AGRA)
file.cif→JSON
8d
Predict CO adsorption energy (AGRA)
file.cif→JSON
8d
Predict COOH adsorption energy (AGRA)
file.cif→JSON
8d
Predict adsorption energy (OCP 2020 full)
file.cif→JSON
8d
Predict adsorption energy (OCP 2020, 100k subset)
file.cif→JSON
8d
Predict adsorption energy (OCP 2020, 10k subset)
file.cif→JSON
8d
Predict internal energy at 0 K (molecules)
file.cif→JSON
8d
Predict internal energy at 298.15 K (molecules)
file.cif→JSON
8d
Predict isotropic polarizability (molecules)
file.cif→JSON
8d
Predict HOMO-LUMO gap (molecules)
file.cif→JSON
8d
Predict free energy at 298.15 K (molecules)
file.cif→JSON
8d
Predict HOMO orbital energy (molecules)
file.cif→JSON
8d
Predict LUMO orbital energy (molecules)
file.cif→JSON
8d
Predict zero-point vibrational energy (molecules)
file.cif→JSON
8d
Predict CO₂ adsorption at 5 pressures (MOFs)
file.cif→JSON
8d
Predict maximum CO₂ adsorption capacity (MOFs)
file.cif→JSON
8d
Predict gravimetric surface area (MOFs)
file.cif→JSON
8d
Predict volumetric surface area (MOFs)
file.cif→JSON
8d
Predict pore limiting diameter (MOFs)
file.cif→JSON
8d
Predict largest cavity diameter (MOFs)
file.cif→JSON
8d
Predict void fraction (MOFs)
file.cif→JSON
8d
Synthesis report from CIF file
file.cif→file.html
2mo
Create interstitially doped structure
file.cif→file.cif
8mo
Predict the Curie temperature of a material
file.cif→JSON
1y
Calculate magnetic saturation and related properties
A phonon dispersion plot for a relaxed structure using a 2x2x2 supercell. The red lines show multiple phonon branches across high-symmetry paths labeled Gamma, X, Y, ZR2, U2, and V2. Frequencies range up to about 9 THz, with several bands crossing and bending as they move along the path. A blue dotted line marks zero frequency, and the data indicate no imaginary modes, though the lowest branch dips slightly below zero by about 0.07 THz. This image summarizes how vibrational modes vary with wavevector for the relaxed structure.