AFLOW Prototype: AB_hP12_156_2ab3c_2ab3c
Prototype | : | CuI |
AFLOW prototype label | : | AB_hP12_156_2ab3c_2ab3c |
Strukturbericht designation | : | None |
Pearson symbol | : | hP12 |
Space group number | : | 156 |
Space group symbol | : | $P3m1$ |
AFLOW prototype command | : | aflow --proto=AB_hP12_156_2ab3c_2ab3c --params=$a$,$c/a$,$z_{1}$,$z_{2}$,$z_{3}$,$z_{4}$,$z_{5}$,$z_{6}$,$z_{7}$,$z_{8}$,$z_{9}$,$z_{10}$,$z_{11}$,$z_{12}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & z_{1} \, \mathbf{a}_{3} & = & z_{1}c \, \mathbf{\hat{z}} & \left(1a\right) & \text{Cu I} \\ \mathbf{B}_{2} & = & z_{2} \, \mathbf{a}_{3} & = & z_{2}c \, \mathbf{\hat{z}} & \left(1a\right) & \text{Cu II} \\ \mathbf{B}_{3} & = & z_{3} \, \mathbf{a}_{3} & = & z_{3}c \, \mathbf{\hat{z}} & \left(1a\right) & \text{I I} \\ \mathbf{B}_{4} & = & z_{4} \, \mathbf{a}_{3} & = & z_{4}c \, \mathbf{\hat{z}} & \left(1a\right) & \text{I II} \\ \mathbf{B}_{5} & = & \frac{1}{3} \, \mathbf{a}_{1} + \frac{2}{3} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(1b\right) & \text{Cu III} \\ \mathbf{B}_{6} & = & \frac{1}{3} \, \mathbf{a}_{1} + \frac{2}{3} \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(1b\right) & \text{I III} \\ \mathbf{B}_{7} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2} + z_{7} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(1c\right) & \text{Cu IV} \\ \mathbf{B}_{8} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2} + z_{8} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(1c\right) & \text{Cu V} \\ \mathbf{B}_{9} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2} + z_{9} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{9}c \, \mathbf{\hat{z}} & \left(1c\right) & \text{Cu VI} \\ \mathbf{B}_{10} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2} + z_{10} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{10}c \, \mathbf{\hat{z}} & \left(1c\right) & \text{I IV} \\ \mathbf{B}_{11} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2} + z_{11} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{11}c \, \mathbf{\hat{z}} & \left(1c\right) & \text{I V} \\ \mathbf{B}_{12} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2} + z_{12} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{12}c \, \mathbf{\hat{z}} & \left(1c\right) & \text{I VI} \\ \end{array} \]