Skip to article frontmatterSkip to article content
Site not loading correctly?

This may be due to an incorrect BASE_URL configuration. See the MyST Documentation for reference.

Amorphous

A 40 Å cubic strontium titanate supercell (~5130 atoms), fully disordered, grain-free.

strontium_titanate_amorphous_generate.py reproduces this case.

MACE+wall relaxation

Energy

Strontium titanate Amorphous MACE energy per atom
stageE (eV/atom)
after cleanup-6.357
after MACE-7.567

g₃ distributions

After cleanup

After MACE

Bond length and angle distributions

Strontium titanate Amorphous bond length distributionStrontium titanate Amorphous angle distributionsStrontium titanate Amorphous pairwise g(r)