Materials science toolkit powered by machine learning interatomic potentials (MLIPs). Relax crystal structures, compute phonon band structures, assess thermodynamic stability via energy-above-hull analysis, and generate doped or defective structures for computational screening workflows. Accepts CIF files as input.
Signature | ||||
|---|---|---|---|---|
file.cif→post | Public | 47 | ||
file.cif→file.xy | Public | 7 | ||
file.cif→file.zip | Public | 0 | ||
file.cif→file.cif | Public | 6,648 | ||
file.cif→file.zip | Public | 0 | ||
file.cif→file.mp4 | Public | 29 | ||
file.cif→file.html | Public | 6,447 | ||
file.cif→file.cif | Public | 22 | ||
file.cif→file.png | Public | 609 |
Usage
13,809 calls