AFLOW Prototype: AB2_hP12_194_f_ah
Prototype | : | MgZn2 |
AFLOW prototype label | : | AB2_hP12_194_f_ah |
Strukturbericht designation | : | $C14$ |
Pearson symbol | : | hP12 |
Space group number | : | 194 |
Space group symbol | : | $\text{P6}_{3}\text{/mmc}$ |
AFLOW prototype command | : | aflow --proto=AB2_hP12_194_f_ah --params=$a$,$c/a$,$z_{2}$,$x_{3}$ |
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(2a\right) & \text{Zn I} \\ \mathbf{B}_{2}& = &\frac12 \, \mathbf{a}_{3}& = &\frac12 \, c \, \mathbf{\hat{z}}& \left(2a\right) & \text{Zn I} \\ \mathbf{B}_{3}& = &\frac13 \, \mathbf{a}_{1}+ \frac23 \, \mathbf{a}_{2}+ z_{2} \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}+\frac{1}{2\sqrt{3}} \, a \, \mathbf{\hat{y}}+ z_{2} \, c \, \mathbf{\hat{z}}& \left(4f\right) & \text{Mg} \\ \mathbf{B}_{4}& = &\frac23 \, \mathbf{a}_{1}+ \frac13 \, \mathbf{a}_{2}+ \left(\frac12 + z_{2}\right) \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}} \, a \, \mathbf{\hat{y}}+ \left(\frac12 + z_{2}\right) \, c \, \mathbf{\hat{z}}& \left(4f\right) & \text{Mg} \\ \mathbf{B}_{5}& = &\frac23 \, \mathbf{a}_{1}+ \frac13 \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}} \, a \, \mathbf{\hat{y}}- z_{2} \, c \, \mathbf{\hat{z}}& \left(4f\right) & \text{Mg} \\ \mathbf{B}_{6}& = &\frac13 \, \mathbf{a}_{1}+ \frac23 \, \mathbf{a}_{2}+ \left(\frac12 - z_{2}\right) \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}+ \frac{1}{2\sqrt{3}} \, a \, \mathbf{\hat{y}}+ \left(\frac12 - z_{2}\right) \, c \, \mathbf{\hat{z}}& \left(4f\right) & \text{Mg} \\ \mathbf{B}_{7}& = &x_{3} \, \mathbf{a}_{1}+ 2 \, x_{3} \, \mathbf{a}_{2}+ \frac14 \, \mathbf{a}_{3}& = &\frac32 \, x_{3} \, a \, \mathbf{\hat{x}}+ \frac{\sqrt3}{2} \, x_{3} \, a \, \mathbf{\hat{y}}+ \frac14 \, c \, \mathbf{\hat{z}}& \left(6h\right) & \text{Zn II} \\ \mathbf{B}_{8}& = &- 2 \, x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+ \frac14 \, \mathbf{a}_{3}& = &- \frac32 \, x_{3} \, a \, \mathbf{\hat{x}}+ \frac{\sqrt3}{2} \, x_{3} \, a \, \mathbf{\hat{y}}+ \frac14 \, c \, \mathbf{\hat{z}}& \left(6h\right) & \text{Zn II} \\ \mathbf{B}_{9}& = &x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+ \frac14 \, \mathbf{a}_{3}& = &- \sqrt3 \, x_{3} \, a \, \mathbf{\hat{y}}+ \frac14 \, c \, \mathbf{\hat{z}}& \left(6h\right) & \text{Zn II} \\ \mathbf{B}_{10}& = &- x_{3} \, \mathbf{a}_{1}- 2 \, x_{3} \, \mathbf{a}_{2}+ \frac34 \, \mathbf{a}_{3}& = &- \frac32 \, x_{3} \, a \, \mathbf{\hat{x}}- \frac{\sqrt3}{2} \, x_{3} \, a \, \mathbf{\hat{y}}+ \frac34 \, c \, \mathbf{\hat{z}}& \left(6h\right) & \text{Zn II} \\ \mathbf{B}_{11}& = &2 \, x_{3} \, \mathbf{a}_{1}+ x_{3} \, \mathbf{a}_{2}+ \frac34 \, \mathbf{a}_{3}& = &\frac32 \, x_{3} \, a \, \mathbf{\hat{x}}- \frac{\sqrt3}{2} \, x_{3} \, a \, \mathbf{\hat{y}}+ \frac34 \, c \, \mathbf{\hat{z}}& \left(6h\right) & \text{Zn II} \\ \mathbf{B}_{12}& = &- x_{3} \, \mathbf{a}_{1}+ x_{3} \, \mathbf{a}_{2}+ \frac34 \, \mathbf{a}_{3}& = &+ \sqrt3 \, x_{3} \, a \, \mathbf{\hat{y}}+ \frac34 \, c \, \mathbf{\hat{z}}& \left(6h\right) & \text{Zn II} \\ \end{array} \]