AFLOW Prototype: AB5_hP6_191_a_cg
Prototype | : | CaCu5 |
AFLOW prototype label | : | AB5_hP6_191_a_cg |
Strukturbericht designation | : | $D2_{d}$ |
Pearson symbol | : | hP6 |
Space group number | : | 191 |
Space group symbol | : | $\text{P6/mmm}$ |
AFLOW prototype command | : | aflow --proto=AB5_hP6_191_a_cg --params=$a$,$c/a$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1}& = &0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = &0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(1a\right) & \text{Ca} \\ \mathbf{B}_{2} & =&\frac13 \mathbf{a}_{1}+ \frac23 \mathbf{a}_{2}& = &\frac12 \, a \, \mathbf{\hat{x}}+ \frac1{2\sqrt{3}} \, a \, \mathbf{\hat{y}}& \left(2c\right) & \text{Cu I} \\ \mathbf{B}_{3} & =&\frac23 \mathbf{a}_{1}+ \frac13 \mathbf{a}_{2}& = &\frac12 \, a \, \mathbf{\hat{x}}- \frac1{2\sqrt{3}} \, a \, \mathbf{\hat{y}}& \left(2c\right) & \text{Cu I} \\ \mathbf{B}_{4}& = &\frac12 \, \mathbf{a}_{1}+ \frac12 \mathbf{a}_{3}& = &\frac14 \, a \, \mathbf{\hat{x}}- \frac{\sqrt3}{4} \, a \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(3g\right) & \text{Cu II} \\ \mathbf{B}_{5}& = &\frac12 \, \mathbf{a}_{2}+ \frac12 \mathbf{a}_{3}& = &\frac14 \, a \, \mathbf{\hat{x}}+ \frac{\sqrt3}{4} \, a \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(3g\right) & \text{Cu II} \\ \mathbf{B}_{6}& = &\frac12 \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{2}+ \frac12 \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(3g\right) & \text{Cu II} \\ \end{array} \]