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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

regimeatomsorient acceptsfinal E (eV/atom)
Liquid51300-6.915
Amorphous51300-7.567
SRO513025-7.704
MRO513010-7.782
LRO51308-7.818
Nanocrystalline51306-7.839

Per-regime pages