Strontium titanate¶

Strontium titanate supercells (40 × 40 × 40 Å) across the amorphous → nanocrystalline axis, refined with MACE-MP0.

Final MACE structures¶

Energy across regimes¶

Strontium titanate energy per atom across regimes

Summary¶

regime	atoms	orient accepts	final E (eV/atom)
Liquid	5130	0	-6.915
Amorphous	5130	0	-7.567
SRO	5130	25	-7.704
MRO	5130	10	-7.782
LRO	5130	8	-7.818
Nanocrystalline	5130	6	-7.839

Per-regime pages¶