Export Structure
GET /materials/{id}/export/{format} to download crystal structures as CIF, POSCAR, or XYZ.
Export Structure
Download a material's crystal structure in standard file formats for use with DFT codes and visualization software.
Endpoint
GET /api/materials/{material_id}/export/{format}Path Parameters
| Parameter | Type | Description | |—————-|———|——————-| | material_id | string | Material identifier (e.g., "mp-149") | | format | string | Export format: cif, poscar, or xyz |
Example Requests
# Download CIF file
curl -O "https://api.matcraft.ai/api/v1/materials/mp-149/export/cif"
# Download POSCAR for VASP
curl -O "https://api.matcraft.ai/api/v1/materials/mp-149/export/poscar"
# Download XYZ coordinates
curl -O "https://api.matcraft.ai/api/v1/materials/mp-149/export/xyz"Response
The response body contains the file content with the appropriate MIME type:
| Format | Content-Type | File Extension | |————|——————-|————————| | cif | chemical/x-cif | .cif | | poscar | text/plain | .vasp | | xyz | chemical/x-xyz | .xyz |
The Content-Disposition header includes a suggested filename:
Content-Disposition: attachment; filename="Si_mp-149.cif"CIF Output
The CIF file includes unit cell parameters, space group, symmetry operations, and atomic positions in fractional coordinates. Compatible with VESTA, Mercury, CrystalMaker, and all major DFT codes.
POSCAR Output
VASP-compatible POSCAR with:
- Comment line with formula and material ID
- Universal scaling factor (1.0)
- Lattice vectors in Angstroms
- Element symbols and atom counts
- Fractional coordinates (Direct format)
XYZ Output
Simple Cartesian coordinate format with element symbols and x, y, z positions in Angstroms. Suitable for molecular visualization and non-periodic calculations.
Python SDK
from matcraft import MatCraftClient
client = MatCraftClient()
client.export_structure("mp-149", format="poscar", path="Si.vasp")Error Responses
| Status | When | |————|———| | 404 | Material ID not found | | 400 | Unsupported export format |