AFLOW Prototype: A5B8_cI52_217_ce_cg
Prototype | : | Cu5Zn8 |
AFLOW prototype label | : | A5B8_cI52_217_ce_cg |
Strukturbericht designation | : | $D8_{2}$ |
Pearson symbol | : | cI52 |
Space group number | : | 217 |
Space group symbol | : | $\text{I}\bar{4}\text{3m}$ |
AFLOW prototype command | : | aflow --proto=A5B8_cI52_217_ce_cg --params=$a$,$x_{1}$,$x_{2}$,$x_{3}$,$x_{4}$,$z_{4}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = &2 x_{1} \, \mathbf{a}_{1}+ 2 x_{1} \, \mathbf{a}_{2}+ 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{Cu I} \\ \mathbf{B}_{2} & = &- 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{Cu I} \\ \mathbf{B}_{3} & = &- 2 x_{1} \, \mathbf{a}_{2}& = &- x_{1} \, \, a \, \mathbf{\hat{x}}+ x_{1} \, \, a \, \mathbf{\hat{y}}- x_{1} \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cu I} \\ \mathbf{B}_{4} & = &- 2 x_{1} \, \mathbf{a}_{1}& = &x_{1} \, \, a \, \mathbf{\hat{x}}- x_{1} \, \, a \, \mathbf{\hat{y}}- x_{1} \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Cu I} \\ \mathbf{B}_{5} & = &2 x_{2} \, \mathbf{a}_{1}+ 2 x_{2} \, \mathbf{a}_{2}+ 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{Zn I} \\ \mathbf{B}_{6} & = &- 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{Zn I} \\ \mathbf{B}_{7} & = &- 2 x_{2} \, \mathbf{a}_{2}& = &- x_{2} \, \, a \, \mathbf{\hat{x}}+ x_{2} \, \, a \, \mathbf{\hat{y}}- x_{2} \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Zn I} \\ \mathbf{B}_{8} & = &- 2 x_{2} \, \mathbf{a}_{1}& = &x_{2} \, \, a \, \mathbf{\hat{x}}- x_{2} \, \, a \, \mathbf{\hat{y}}- x_{2} \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Zn I} \\ \mathbf{B}_{9} & = &x_{3} \, \mathbf{a}_{2}+ x_{3} \, \mathbf{a}_{3}& = &x_{3} \, \, a \, \mathbf{\hat{x}}& \left(12e\right) & \text{Cu II} \\ \mathbf{B}_{10} & = &x_{3} \, \mathbf{a}_{1}+ x_{3} \, \mathbf{a}_{3}& = &x_{3} \, \, a \, \mathbf{\hat{y}}& \left(12e\right) & \text{Cu II} \\ \mathbf{B}_{11} & = &x_{3} \, \mathbf{a}_{1}+ x_{3} \, \mathbf{a}_{2}& = &x_{3} \, \, a \, \mathbf{\hat{z}}& \left(12e\right) & \text{Cu II} \\ \mathbf{B}_{12} & = &- x_{3} \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}& = &- x_{3} \, \, a \, \mathbf{\hat{x}}& \left(12e\right) & \text{Cu II} \\ \mathbf{B}_{13} & = &- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{3}& = &- x_{3} \, \, a \, \mathbf{\hat{y}}& \left(12e\right) & \text{Cu II} \\ \mathbf{B}_{14} & = &- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}& = &- x_{3} \, \, a \, \mathbf{\hat{z}}& \left(12e\right) & \text{Cu II} \\ \mathbf{B}_{15} & = &\left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}+ \left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}+ 2 x_{4} \, \mathbf{a}_{3}& = &x_{4} \, \, a \, \mathbf{\hat{x}}+ x_{4} \, \, a \, \mathbf{\hat{y}}+ z_{4} \, \, a \, \mathbf{\hat{z}}& \left(24g\right) & \text{Zn II} \\ \mathbf{B}_{16} & = &\left(z_{4} - x_{4}\right) \, \mathbf{a}_{1}+ \left(z_{4} - x_{4}\right) \, \mathbf{a}_{2}- 2 x_{4} \, \mathbf{a}_{3}& = &- x_{4} \, \, a \, \mathbf{\hat{x}}- x_{4} \, \, a \, \mathbf{\hat{y}}+ z_{4} \, \, a \, \mathbf{\hat{z}}& \left(24g\right) & \text{Zn II} \\ \mathbf{B}_{17} & = &\left(x_{4} - z_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}& = &- x_{4} \, \, a \, \mathbf{\hat{x}}+ x_{4} \, \, a \, \mathbf{\hat{y}}- z_{4} \, \, a \, \mathbf{\hat{z}}& \left(24g\right) & \text{Zn II} \\ \mathbf{B}_{18} & = &- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}+ \left(x_{4} - z_{4}\right) \, \mathbf{a}_{2}& = &x_{4} \, \, a \, \mathbf{\hat{x}}- x_{4} \, \, a \, \mathbf{\hat{y}}- z_{4} \, \, a \, \mathbf{\hat{z}}& \left(24g\right) & \text{Zn II} \\ \mathbf{B}_{19} & = &2 x_{4} \, \mathbf{a}_{1}+ \left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}+ \left(x_{4} + z_{4}\right) \, \mathbf{a}_{3}& = &z_{4} \, \, a \, \mathbf{\hat{x}}+ x_{4} \, \, a \, \mathbf{\hat{y}}+ x_{4} \, \, a \, \mathbf{\hat{z}}& \left(24g\right) & \text{Zn II} \\ \mathbf{B}_{20} & = &- 2 x_{4} \, \mathbf{a}_{1}+ \left(z_{4} - x_{4}\right) \, \mathbf{a}_{2}+ \left(z_{4} - x_{4}\right) \, \mathbf{a}_{3}& = &z_{4} \, \, a \, \mathbf{\hat{x}}- x_{4} \, \, a \, \mathbf{\hat{y}}- x_{4} \, \, a \, \mathbf{\hat{z}}& \left(24g\right) & \text{Zn II} \\ \mathbf{B}_{21} & = &\left(x_{4} - z_{4}\right) \, \mathbf{a}_{2}- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{3}& = &- z_{4} \, \, a \, \mathbf{\hat{x}}- x_{4} \, \, a \, \mathbf{\hat{y}}+ x_{4} \, \, a \, \mathbf{\hat{z}}& \left(24g\right) & \text{Zn II} \\ \mathbf{B}_{22} & = &- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}+ \left(x_{4} - z_{4}\right) \, \mathbf{a}_{3}& = &- z_{4} \, \, a \, \mathbf{\hat{x}}+ x_{4} \, \, a \, \mathbf{\hat{y}}- x_{4} \, \, a \, \mathbf{\hat{z}}& \left(24g\right) & \text{Zn II} \\ \mathbf{B}_{23} & = &\left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}+ 2 x_{4} \, \mathbf{a}_{2}+ \left(x_{4} + z_{4}\right) \, \mathbf{a}_{3}& = &x_{4} \, \, a \, \mathbf{\hat{x}}+ z_{4} \, \, a \, \mathbf{\hat{y}}+ x_{4} \, \, a \, \mathbf{\hat{z}}& \left(24g\right) & \text{Zn II} \\ \mathbf{B}_{24} & = &\left(z_{4} - x_{4}\right) \, \mathbf{a}_{1}- 2 x_{4} \, \mathbf{a}_{2}+ \left(z_{4} - x_{4}\right) \, \mathbf{a}_{3}& = &- x_{4} \, \, a \, \mathbf{\hat{x}}+ z_{4} \, \, a \, \mathbf{\hat{y}}- x_{4} \, \, a \, \mathbf{\hat{z}}& \left(24g\right) & \text{Zn II} \\ \mathbf{B}_{25} & = &- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}+ \left(x_{4} - z_{4}\right) \, \mathbf{a}_{3}& = &x_{4} \, \, a \, \mathbf{\hat{x}}- z_{4} \, \, a \, \mathbf{\hat{y}}- x_{4} \, \, a \, \mathbf{\hat{z}}& \left(24g\right) & \text{Zn II} \\ \mathbf{B}_{26} & = &\left(x_{4} - z_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{3}& = &- x_{4} \, \, a \, \mathbf{\hat{x}}- z_{4} \, \, a \, \mathbf{\hat{y}}+ x_{4} \, \, a \, \mathbf{\hat{z}}& \left(24g\right) & \text{Zn II} \\ \end{array} \]