Fe16N2 (α''-Fe16N2, I4/mmm) benchmark CIF - relaxed - 3x3x3 supercell · Files on Ouro

File documentation

Learn how to interact with this file 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.

Retrieve file

Get file metadata including name, visibility, description, file size, and other asset properties.

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 = "1aef75db-fd4e-4235-8d2b-5d46ad44f12c"
 
# Retrieve file metadata
file = ouro.files.retrieve(file_id)
print(file.name, file.visibility)
print(file.metadata)

Read file data

Get a URL to download or embed the file. For private assets, the URL is temporary and will expire after 1 hour.

# 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

Update file metadata (name, description, visibility, etc.) and optionally replace the file data with a new file. Requires write or admin permission.

# 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"
)

Delete file

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)

File documentation

Learn how to interact with this file 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.

Retrieve file

Get file metadata including name, visibility, description, file size, and other asset properties.

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 = "1aef75db-fd4e-4235-8d2b-5d46ad44f12c"
 
# Retrieve file metadata
file = ouro.files.retrieve(file_id)
print(file.name, file.visibility)
print(file.metadata)

Read file data

Get a URL to download or embed the file. For private assets, the URL is temporary and will expire after 1 hour.

# 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

Update file metadata (name, description, visibility, etc.) and optionally replace the file data with a new file. Requires write or admin permission.

# 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"
)

Delete file

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)

Overview

Stats

Size: 26.06 KB
Type: .cif file
Downloads: 0

Attribution

Relax a crystal structure

file.cif→file.cif

6.5k uses

Calculate energy above the convex hull

file.cif→file.html

6.4k uses

Predict Curie temperature from a CIF

file.cif→JSON

6.0k uses

Estimate magnetic moments and Ms from a CIF

file.cif→JSON

4.5k uses

Calculate magnetic anisotropy energy (MAE)

file.cif→JSON

9mo

3.3k uses

Predict a crystal property with ALIGNN

file.cif→JSON

27d

2.0k uses

Estimate raw material cost per kg

file.cif→JSON

1.6k uses

Calculate phonon dispersion and band structure

file.cif→file.png

599 uses

Expand a crystal structure into a supercell

file.cif→file.cif

143 uses

Extract crystal structure metadata

file.cif→JSON

123 uses

Estimate ZT and key thermoelectric properties

file.cif→JSON

5mo

88 uses

Relax a crystal structure and publish results

file.cif→post

47 uses

Structure relaxation via NequIP-OAM-XL

file.cif→file.cif

5mo

32 uses

Magnetic moment & Ms for ligand-bridged magnets (oxides, nitrides, M–X–M)

file.cif→JSON

11d

31 uses

Magnetic anisotropy energy

file.cif→JSON

19d

30 uses

Exchange couplings (TB2J)

file.cif→file.json

18d

28 uses

Relax a crystal structure with animation

file.cif→file.mp4

28 uses

Predict Seebeck coefficient and band gap

file.cif→JSON

5mo

24 uses

Magnetic moments

file.cif→JSON

19d

23 uses

Crystal-Likeness Score (synthesizability) from CIF

file.cif→JSON

22 uses

Create an interstitially doped structure

file.cif→file.cif

22 uses

Calculate magnetic anisotropy energy

file.cif→JSON

8mo

15 uses

Describe a crystal structure

file.cif, .poscar, .vasp→JSON

8 uses

Energy Gate Check

file.cif→unknown

8 uses

Simulate an X-ray diffraction pattern

file.cif→file.xy

4mo

7 uses

Analyze a CIF and create a structure report

file.cif→post

16d

6 uses

Synthesis report from CIF file

file.cif→file.html

6mo

5 uses

Band structure

file.cif→file.json

19d

4 uses

Check phonon stability

file.cif→file.png

5mo

4 uses

Ground-state SCF

file.cif→file.cubefile.cube

19d

3 uses

Charge density

file.cif→file.cubefile.cube

19d

2 uses

Density of states

file.cif→JSON

19d

2 uses

Band gap

file.cif→JSON

19d

2 uses

Check whether a CIF is a valid crystal structure

file.cif→JSON

Generate OLED features from a CIF

file.cif→dataset

16d

Projected density of states

file.cif→JSON

18d

Estimate minimum lattice thermal conductivity

file.cif→JSON

5mo

Generate surface slabs

file.cif→file.zip

3mo

Generate point-defect candidates

file.cif→file.zip

4mo

You've seen it all

Overview

Stats

Size: 26.06 KB
Type: .cif file
Downloads: 0

Attribution

Relax a crystal structure

file.cif→file.cif

6.5k uses

Calculate energy above the convex hull

file.cif→file.html

6.4k uses

Predict Curie temperature from a CIF

file.cif→JSON

6.0k uses

Estimate magnetic moments and Ms from a CIF

file.cif→JSON

4.5k uses

Calculate magnetic anisotropy energy (MAE)

file.cif→JSON

9mo

3.3k uses

Predict a crystal property with ALIGNN

file.cif→JSON

27d

2.0k uses

Estimate raw material cost per kg

file.cif→JSON

1.6k uses

Calculate phonon dispersion and band structure

file.cif→file.png

599 uses

Expand a crystal structure into a supercell

file.cif→file.cif

143 uses

Extract crystal structure metadata

file.cif→JSON

123 uses

Estimate ZT and key thermoelectric properties

file.cif→JSON

5mo

88 uses

Relax a crystal structure and publish results

file.cif→post

47 uses

Structure relaxation via NequIP-OAM-XL

file.cif→file.cif

5mo

32 uses

Magnetic moment & Ms for ligand-bridged magnets (oxides, nitrides, M–X–M)

file.cif→JSON

11d

31 uses

Magnetic anisotropy energy

file.cif→JSON

19d

30 uses

Exchange couplings (TB2J)

file.cif→file.json

18d

28 uses

Relax a crystal structure with animation

file.cif→file.mp4

28 uses

Predict Seebeck coefficient and band gap

file.cif→JSON

5mo

24 uses

Magnetic moments

file.cif→JSON

19d

23 uses

Crystal-Likeness Score (synthesizability) from CIF

file.cif→JSON

22 uses

Create an interstitially doped structure

file.cif→file.cif

22 uses

Calculate magnetic anisotropy energy

file.cif→JSON

8mo

15 uses

Describe a crystal structure

file.cif, .poscar, .vasp→JSON

8 uses

Energy Gate Check

file.cif→unknown

8 uses

Simulate an X-ray diffraction pattern

file.cif→file.xy

4mo

7 uses

Analyze a CIF and create a structure report

file.cif→post

16d

6 uses

Synthesis report from CIF file

file.cif→file.html

6mo

5 uses

Band structure

file.cif→file.json

19d

4 uses

Check phonon stability

file.cif→file.png

5mo

4 uses

Ground-state SCF

file.cif→file.cubefile.cube

19d

3 uses

Charge density

file.cif→file.cubefile.cube

19d

2 uses

Density of states

file.cif→JSON

19d

2 uses

Band gap

file.cif→JSON

19d

2 uses

Check whether a CIF is a valid crystal structure

file.cif→JSON

Generate OLED features from a CIF

file.cif→dataset

16d

Projected density of states

file.cif→JSON

18d

Estimate minimum lattice thermal conductivity

file.cif→JSON

5mo

Generate surface slabs

file.cif→file.zip

3mo

Generate point-defect candidates

file.cif→file.zip

4mo

You've seen it all