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ANNNI Stacking Faults

Estimates intrinsic and extrinsic stacking fault energies of an FCC-forming composition from the relaxed energies of three bulk polytypes, using the second-order axial next-nearest-neighbor Ising (ANNNI) model.

from materialsframework.analysis import ANNNIStackingFaultAnalyzer
from materialsframework.calculators import RandomCalculator

annni = ANNNIStackingFaultAnalyzer(calculator=RandomCalculator())
res = annni.calculate("Ni")

print(res["isfe"])  # intrinsic stacking fault energy (eV/A^2)
print(res["esfe"])  # extrinsic stacking fault energy (eV/A^2)

See Theory for the derivation, or the API Reference for the full parameter list.