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→file.xy | Public | ||
file.cif→file.zip | Public | ||
file.cif→file.zip | Public | ||
file.cif→file.cif | Public | ||
file.cif→file.phonons | Public | ||
file.cif→file.cif | Public | ||
file.cif→file.mp4 | Public | ||
file.cif→file.phasediagram | Public | ||
file.cif→post | Public |
Usage
14,351 calls