Table 2 Optimized parameters of the five structural systems.

From: Effects of Mn content on austenite stability and mechanical properties of low Ni alumina-forming austenitic heat-resistant steel: a first-principles study

Structure

α = β = γ/°

a/Å

b/Å

c/Å

V/Å3

Fe22–Cr5–Ni3–Al2

90

7.050833

7.06462

7.025765

349.963583

Fe21–Cr5–Ni3–Al2–Mn

90

7.111288

7.066416

6.987573

351.134762

Fe20–Cr5–Ni3–Al2–Mn2

90

7.012975

7.078049

7.077811

351.3296613

Fe19–Cr5–Ni3–Al2–Mn3

90

7.0256

7.067415

7.114321

353.246177

Fe18–Cr5–Ni3–Al2–Mn4

90

7.043309

7.051263

7.121751

353.696238

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