AFLOW Prototype: ABC_hP9_189_g_ad_f
Prototype | : | AlNiZr |
AFLOW prototype label | : | ABC_hP9_189_g_ad_f |
Strukturbericht designation | : | None |
Pearson symbol | : | hP9 |
Space group number | : | 189 |
Space group symbol | : | $P\bar{6}2m$ |
AFLOW prototype command | : | aflow --proto=ABC_hP9_189_g_ad_f --params=$a$,$c/a$,$x_{3}$,$x_{4}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(1a\right) & \text{Ni I} \\ \mathbf{B}_{2} & = & \frac{1}{3} \, \mathbf{a}_{1} + \frac{2}{3} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(2d\right) & \text{Ni II} \\ \mathbf{B}_{3} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(2d\right) & \text{Ni II} \\ \mathbf{B}_{4} & = & x_{3} \, \mathbf{a}_{1} & = & \frac{1}{2}x_{3}a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}x_{3}a \, \mathbf{\hat{y}} & \left(3f\right) & \text{Zr} \\ \mathbf{B}_{5} & = & x_{3} \, \mathbf{a}_{2} & = & \frac{1}{2}x_{3}a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}x_{3}a \, \mathbf{\hat{y}} & \left(3f\right) & \text{Zr} \\ \mathbf{B}_{6} & = & -x_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} & = & -x_{3}a \, \mathbf{\hat{x}} & \left(3f\right) & \text{Zr} \\ \mathbf{B}_{7} & = & x_{4} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}x_{4}a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}x_{4}a \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(3g\right) & \text{Al} \\ \mathbf{B}_{8} & = & x_{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}x_{4}a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}x_{4}a \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(3g\right) & \text{Al} \\ \mathbf{B}_{9} & = & -x_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(3g\right) & \text{Al} \\ \end{array} \]