Model of Austenite Structure (cI32): AB12C3_cI32_229_a_h_b-001
| Prototype | CrFe$_{12}$Ni$_{3}$ |
| AFLOW prototype label | AB12C3_cI32_229_a_h_b-001 |
| ICSD | none |
| Pearson symbol | cI32 |
| Space group number | 229 |
| Space group symbol | $Im\overline{3}m$ |
| AFLOW prototype command |
aflow --proto=AB12C3_cI32_229_a_h_b-001
--params=$a, \allowbreak y_{3}$ |
- Austenitic steels are alloys of iron and other metals with an averaged face-centered cubic structure. This model represents one approximation for an austenite steel. If we set $y_{3} = 1/4$, the atoms are on the sites of an fcc lattice.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}a \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | Cr I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}$ | (6b) | Ni I |
| $\mathbf{B_{3}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}$ | (6b) | Ni I |
| $\mathbf{B_{4}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a \,\mathbf{\hat{z}}$ | (6b) | Ni I |
| $\mathbf{B_{5}}$ | = | $2 y_{3} \, \mathbf{a}_{1}+y_{3} \, \mathbf{a}_{2}+y_{3} \, \mathbf{a}_{3}$ | = | $a y_{3} \,\mathbf{\hat{y}}+a y_{3} \,\mathbf{\hat{z}}$ | (24h) | Fe I |
| $\mathbf{B_{6}}$ | = | $y_{3} \, \mathbf{a}_{2}- y_{3} \, \mathbf{a}_{3}$ | = | $- a y_{3} \,\mathbf{\hat{y}}+a y_{3} \,\mathbf{\hat{z}}$ | (24h) | Fe I |
| $\mathbf{B_{7}}$ | = | $- y_{3} \, \mathbf{a}_{2}+y_{3} \, \mathbf{a}_{3}$ | = | $a y_{3} \,\mathbf{\hat{y}}- a y_{3} \,\mathbf{\hat{z}}$ | (24h) | Fe I |
| $\mathbf{B_{8}}$ | = | $- 2 y_{3} \, \mathbf{a}_{1}- y_{3} \, \mathbf{a}_{2}- y_{3} \, \mathbf{a}_{3}$ | = | $- a y_{3} \,\mathbf{\hat{y}}- a y_{3} \,\mathbf{\hat{z}}$ | (24h) | Fe I |
| $\mathbf{B_{9}}$ | = | $y_{3} \, \mathbf{a}_{1}+2 y_{3} \, \mathbf{a}_{2}+y_{3} \, \mathbf{a}_{3}$ | = | $a y_{3} \,\mathbf{\hat{x}}+a y_{3} \,\mathbf{\hat{z}}$ | (24h) | Fe I |
| $\mathbf{B_{10}}$ | = | $- y_{3} \, \mathbf{a}_{1}+y_{3} \, \mathbf{a}_{3}$ | = | $a y_{3} \,\mathbf{\hat{x}}- a y_{3} \,\mathbf{\hat{z}}$ | (24h) | Fe I |
| $\mathbf{B_{11}}$ | = | $y_{3} \, \mathbf{a}_{1}- y_{3} \, \mathbf{a}_{3}$ | = | $- a y_{3} \,\mathbf{\hat{x}}+a y_{3} \,\mathbf{\hat{z}}$ | (24h) | Fe I |
| $\mathbf{B_{12}}$ | = | $- y_{3} \, \mathbf{a}_{1}- 2 y_{3} \, \mathbf{a}_{2}- y_{3} \, \mathbf{a}_{3}$ | = | $- a y_{3} \,\mathbf{\hat{x}}- a y_{3} \,\mathbf{\hat{z}}$ | (24h) | Fe I |
| $\mathbf{B_{13}}$ | = | $y_{3} \, \mathbf{a}_{1}+y_{3} \, \mathbf{a}_{2}+2 y_{3} \, \mathbf{a}_{3}$ | = | $a y_{3} \,\mathbf{\hat{x}}+a y_{3} \,\mathbf{\hat{y}}$ | (24h) | Fe I |
| $\mathbf{B_{14}}$ | = | $y_{3} \, \mathbf{a}_{1}- y_{3} \, \mathbf{a}_{2}$ | = | $- a y_{3} \,\mathbf{\hat{x}}+a y_{3} \,\mathbf{\hat{y}}$ | (24h) | Fe I |
| $\mathbf{B_{15}}$ | = | $- y_{3} \, \mathbf{a}_{1}+y_{3} \, \mathbf{a}_{2}$ | = | $a y_{3} \,\mathbf{\hat{x}}- a y_{3} \,\mathbf{\hat{y}}$ | (24h) | Fe I |
| $\mathbf{B_{16}}$ | = | $- y_{3} \, \mathbf{a}_{1}- y_{3} \, \mathbf{a}_{2}- 2 y_{3} \, \mathbf{a}_{3}$ | = | $- a y_{3} \,\mathbf{\hat{x}}- a y_{3} \,\mathbf{\hat{y}}$ | (24h) | Fe I |
References
- M. J. Mehl, D. Hicks, C. Toher, O. Levy, R. M. Hanson, G. Hart, and S. Curtarolo, The AFLOW library of crystallographic prototypes: part 1, Comput. Mater. Sci. 136, S1–S828 (2017), doi:10.1016/j.commatsci.2017.01.017.
Prototype Generator
aflow --proto=AB12C3_cI32_229_a_h_b --params=$a,y_{3}$