AFLOW Prototype: A2B_tI12_140_h_a
Prototype | : | Al2Cu |
AFLOW prototype label | : | A2B_tI12_140_h_a |
Strukturbericht designation | : | $C16$ |
Pearson symbol | : | tI12 |
Space group number | : | 140 |
Space group symbol | : | $\text{I4/mcm}$ |
AFLOW prototype command | : | aflow --proto=A2B_tI12_140_h_a --params=$a$,$c/a$,$x_{2}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & =& \frac14 \, \mathbf{a}_{1} + \frac14 \, \mathbf{a}_{2}& =& \frac14 \, c \, \mathbf{\hat{z}}& \left(4a\right) & \text{Cu} \\ \mathbf{B}_{2} & =& \frac34 \, \mathbf{a}_{1} + \frac34 \, \mathbf{a}_{2}& =& \frac34 \, c \, \mathbf{\hat{z}}& \left(4a\right) & \text{Cu} \\ \mathbf{B}_{3} & =& \left(\frac12 + x_{2}\right) \, \mathbf{a}_{1} + x_{2} \, \mathbf{a}_{2} + \left(\frac12 + 2 x_{2}\right) \, \mathbf{a}_{3}& =& x_{2} \, a \, \mathbf{\hat{x}} + \left(\frac12 + x_{2}\right) \, a \, \mathbf{\hat{y}}& \left(8h\right) & \text{Al} \\ \mathbf{B}_{4} & =& \left(\frac12 - x_{2}\right) \, \mathbf{a}_{1} - x_{2} \, \mathbf{a}_{2} + \left(\frac12 - 2 x_{2}\right) \, \mathbf{a}_{3}& =& - x_{2} \, a \, \mathbf{\hat{x}} + \left(\frac12 - x_{2}\right) \, a \, \mathbf{\hat{y}}& \left(8h\right) & \text{Al} \\ \mathbf{B}_{5} & =& x_{2} \, \mathbf{a}_{1} + \left(\frac12 - x_{2}\right) \, \mathbf{a}_{2} + \frac12 \, \mathbf{a}_{3}& =& \left(\frac12 - x_{2}\right) \, a \, \mathbf{\hat{x}} + x_{2} \, a \, \mathbf{\hat{y}}& \left(8h\right) & \text{Al} \\ \mathbf{B}_{6} & =& - x_{2} \, \mathbf{a}_{1} + \left(\frac12 + x_{2}\right) \, \mathbf{a}_{2} + \frac12 \, \mathbf{a}_{3}& =& \left(\frac12 + x_{2}\right) \, a \, \mathbf{\hat{x}} - x_{2} \, a \, \mathbf{\hat{y}}& \left(8h\right) & \text{Al} \\ \end{array} \]