AFLOW Prototype: AB_cP16_205_c_c
Prototype | : | CuCl |
AFLOW prototype label | : | AB_cP16_205_c_c |
Strukturbericht designation | : | None |
Pearson symbol | : | cP16 |
Space group number | : | 205 |
Space group symbol | : | $\text{Pa}\bar{3}$ |
AFLOW prototype command | : | aflow --proto=AB_cP16_205_c_c --params=$a$,$x_1$,$x_2$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B_1} & =&x_1 \, \mathbf{a}_{1}+ x_1 \, \mathbf{a}_{2}+ x_1 \, \mathbf{a}_{3}& =&x_1 \, \, a \, \mathbf{\hat{x}}+ x_1 \, \, a \, \mathbf{\hat{y}}+ x_1 \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cl} \\ \mathbf{B_2} & =&\left(\frac12 - x_1\right) \, \mathbf{a}_{1}- x_1 \, \mathbf{a}_{2}+ \left(\frac12 + x_1\right) \, \mathbf{a}_{3}& =&\left(\frac12 - x_1\right) \, \, a \, \mathbf{\hat{x}}- x_1 \, \, a \, \mathbf{\hat{y}}+ \left(\frac12 + x_1\right) \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cl} \\ \mathbf{B_3} & =&- x_1 \, \mathbf{a}_{1}+ \left(\frac12 + x_1\right) \, \mathbf{a}_{2}+ \left(\frac12 - x_1\right) \, \mathbf{a}_{3}& =&- x_1 \, \, a \, \mathbf{\hat{x}}+ \left(\frac12 + x_1\right) \, \, a \, \mathbf{\hat{y}}+ \left(\frac12 - x_1\right) \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cl} \\ \mathbf{B_4} & =&\left(\frac12 + x_1\right) \, \mathbf{a}_{1}+ \left(\frac12 - x_1\right) \, \mathbf{a}_{2}- x_1 \, \mathbf{a}_{3}& =&\left(\frac12 + x_1\right) \, \, a \, \mathbf{\hat{x}}+ \left(\frac12 - x_1\right) \, \, a \, \mathbf{\hat{y}}- x_1 \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cl} \\ \mathbf{B_5} & =&- x_1 \, \mathbf{a}_{1}- x_1 \, \mathbf{a}_{2}- x_1 \, \mathbf{a}_{3}& =&- x_1 \, \, a \, \mathbf{\hat{x}}- x_1 \, \, a \, \mathbf{\hat{y}}- x_1 \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cl} \\ \mathbf{B_6} & =&\left(\frac12 + x_1\right) \, \mathbf{a}_{1}+ x_1 \, \mathbf{a}_{2}+ \left(\frac12 - x_1\right) \, \mathbf{a}_{3}& =&\left(\frac12 + x_1\right) \, \, a \, \mathbf{\hat{x}}+ x_1 \, \, a \, \mathbf{\hat{y}}+ \left(\frac12 - x_1\right) \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cl} \\ \mathbf{B_7} & =&x_1 \, \mathbf{a}_{1}+ \left(\frac12 - x_1\right) \, \mathbf{a}_{2}+ \left(\frac12 + x_1\right) \, \mathbf{a}_{3}& =&x_1 \, \, a \, \mathbf{\hat{x}}+ \left(\frac12 - x_1\right) \, \, a \, \mathbf{\hat{y}}+ \left(\frac12 + x_1\right) \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cl} \\ \mathbf{B_8} & =&\left(\frac12 - x_1\right) \, \mathbf{a}_{1}+ \left(\frac12 + x_1\right) \, \mathbf{a}_{2}+ x_1 \, \mathbf{a}_{3}& =&\left(\frac12 - x_1\right) \, \, a \, \mathbf{\hat{x}}+ \left(\frac12 + x_1\right) \, \, a \, \mathbf{\hat{y}}+ x_1 \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cl} \\ \mathbf{B_9} & =&x_2 \, \mathbf{a}_{1}+ x_2 \, \mathbf{a}_{2}+ x_2 \, \mathbf{a}_{3}& =&x_2 \, \, a \, \mathbf{\hat{x}}+ x_2 \, \, a \, \mathbf{\hat{y}}+ x_2 \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cu} \\ \mathbf{B}_{10} & =&\left(\frac12 - x_2\right) \, \mathbf{a}_{1}- x_2 \, \mathbf{a}_{2}+ \left(\frac12 + x_2\right) \, \mathbf{a}_{3}& =&\left(\frac12 - x_2\right) \, \, a \, \mathbf{\hat{x}}- x_2 \, \, a \, \mathbf{\hat{y}}+ \left(\frac12 + x_2\right) \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cu} \\ \mathbf{B}_{11} & =&- x_2 \, \mathbf{a}_{1}+ \left(\frac12 + x_2\right) \, \mathbf{a}_{2}+ \left(\frac12 - x_2\right) \, \mathbf{a}_{3}& =&- x_2 \, \, a \, \mathbf{\hat{x}}+ \left(\frac12 + x_2\right) \, \, a \, \mathbf{\hat{y}}+ \left(\frac12 - x_2\right) \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cu} \\ \mathbf{B}_{12} & =&\left(\frac12 + x_2\right) \, \mathbf{a}_{1}+ \left(\frac12 - x_2\right) \, \mathbf{a}_{2}- x_2 \, \mathbf{a}_{3}& =&\left(\frac12 + x_2\right) \, \, a \, \mathbf{\hat{x}}+ \left(\frac12 - x_2\right) \, \, a \, \mathbf{\hat{y}}- x_2 \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cu} \\ \mathbf{B}_{13} & =&- x_2 \, \mathbf{a}_{1}- x_2 \, \mathbf{a}_{2}- x_2 \, \mathbf{a}_{3}& =&- x_2 \, \, a \, \mathbf{\hat{x}}- x_2 \, \, a \, \mathbf{\hat{y}}- x_2 \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cu} \\ \mathbf{B}_{14} & =&\left(\frac12 + x_2\right) \, \mathbf{a}_{1}+ x_2 \, \mathbf{a}_{2}+ \left(\frac12 - x_2\right) \, \mathbf{a}_{3}& =&\left(\frac12 + x_2\right) \, \, a \, \mathbf{\hat{x}}+ x_2 \, \, a \, \mathbf{\hat{y}}+ \left(\frac12 - x_2\right) \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cu} \\ \mathbf{B}_{15} & =&x_2 \, \mathbf{a}_{1}+ \left(\frac12 - x_2\right) \, \mathbf{a}_{2}+ \left(\frac12 + x_2\right) \, \mathbf{a}_{3}& =&x_2 \, \, a \, \mathbf{\hat{x}}+ \left(\frac12 - x_2\right) \, \, a \, \mathbf{\hat{y}}+ \left(\frac12 + x_2\right) \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cu} \\ \mathbf{B}_{16} & =&\left(\frac12 - x_2\right) \, \mathbf{a}_{1}+ \left(\frac12 + x_2\right) \, \mathbf{a}_{2}+ x_2 \, \mathbf{a}_{3}& =&\left(\frac12 - x_2\right) \, \, a \, \mathbf{\hat{x}}+ \left(\frac12 + x_2\right) \, \, a \, \mathbf{\hat{y}}+ x_2 \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cu} \\ \end{array} \]