AFLOW Prototype: AB3C2_cI96_206_c_e_ad
Prototype | : | AlLiN |
AFLOW prototype label | : | AB3C2_cI96_206_c_e_ad |
Strukturbericht designation | : | $E9_{d}$ |
Pearson symbol | : | cI96 |
Space group number | : | 206 |
Space group symbol | : | $Ia\bar{3}$ |
AFLOW prototype command | : | aflow --proto=AB3C2_cI96_206_c_e_ad --params=$a$,$x_{2}$,$x_{3}$,$x_{4}$,$y_{4}$,$z_{4}$ |
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(8a\right) & \text{N I} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} & \left(8a\right) & \text{N I} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} & \left(8a\right) & \text{N I} \\ \mathbf{B}_{4} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & \frac{1}{2}a \, \mathbf{\hat{z}} & \left(8a\right) & \text{N I} \\ \mathbf{B}_{5} & = & 2x_{2} \, \mathbf{a}_{1} + 2x_{2} \, \mathbf{a}_{2} + 2x_{2} \, \mathbf{a}_{3} & = & x_{2}a \, \mathbf{\hat{x}} + x_{2}a \, \mathbf{\hat{y}} + x_{2}a \, \mathbf{\hat{z}} & \left(16c\right) & \text{Al} \\ \mathbf{B}_{6} & = & \frac{1}{2} \, \mathbf{a}_{1} + \left(\frac{1}{2} - 2x_{2}\right) \, \mathbf{a}_{3} & = & -x_{2}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - x_{2}\right)a \, \mathbf{\hat{y}} + x_{2}a \, \mathbf{\hat{z}} & \left(16c\right) & \text{Al} \\ \mathbf{B}_{7} & = & \left(\frac{1}{2} - 2x_{2}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - x_{2}\right)a \, \mathbf{\hat{x}} + x_{2}a \, \mathbf{\hat{y}}-x_{2}a \, \mathbf{\hat{z}} & \left(16c\right) & \text{Al} \\ \mathbf{B}_{8} & = & \left(\frac{1}{2} - 2x_{2}\right) \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & x_{2}a \, \mathbf{\hat{x}}-x_{2}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} - x_{2}\right)a \, \mathbf{\hat{z}} & \left(16c\right) & \text{Al} \\ \mathbf{B}_{9} & = & -2x_{2} \, \mathbf{a}_{1}-2x_{2} \, \mathbf{a}_{2}-2x_{2} \, \mathbf{a}_{3} & = & -x_{2}a \, \mathbf{\hat{x}}-x_{2}a \, \mathbf{\hat{y}}-x_{2}a \, \mathbf{\hat{z}} & \left(16c\right) & \text{Al} \\ \mathbf{B}_{10} & = & \frac{1}{2} \, \mathbf{a}_{1} + \left(\frac{1}{2} +2x_{2}\right) \, \mathbf{a}_{3} & = & x_{2}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{2}\right)a \, \mathbf{\hat{y}}-x_{2}a \, \mathbf{\hat{z}} & \left(16c\right) & \text{Al} \\ \mathbf{B}_{11} & = & \left(\frac{1}{2} +2x_{2}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{2}\right)a \, \mathbf{\hat{x}}-x_{2}a \, \mathbf{\hat{y}} + x_{2}a \, \mathbf{\hat{z}} & \left(16c\right) & \text{Al} \\ \mathbf{B}_{12} & = & \left(\frac{1}{2} +2x_{2}\right) \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & -x_{2}a \, \mathbf{\hat{x}} + x_{2}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +x_{2}\right)a \, \mathbf{\hat{z}} & \left(16c\right) & \text{Al} \\ \mathbf{B}_{13} & = & \frac{1}{4} \, \mathbf{a}_{1} + \left(\frac{1}{4} +x_{3}\right) \, \mathbf{a}_{2} + x_{3} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{z}} & \left(24d\right) & \text{N II} \\ \mathbf{B}_{14} & = & \frac{3}{4} \, \mathbf{a}_{1} + \left(\frac{1}{4} - x_{3}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{1}{4}a \, \mathbf{\hat{z}} & \left(24d\right) & \text{N II} \\ \mathbf{B}_{15} & = & x_{3} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \left(\frac{1}{4} +x_{3}\right) \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}} & \left(24d\right) & \text{N II} \\ \mathbf{B}_{16} & = & \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \left(\frac{1}{4} - x_{3}\right) \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}} + \frac{1}{2}a \, \mathbf{\hat{z}} & \left(24d\right) & \text{N II} \\ \mathbf{B}_{17} & = & \left(\frac{1}{4} +x_{3}\right) \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{y}} + x_{3}a \, \mathbf{\hat{z}} & \left(24d\right) & \text{N II} \\ \mathbf{B}_{18} & = & \left(\frac{1}{4} - x_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}}-x_{3}a \, \mathbf{\hat{z}} & \left(24d\right) & \text{N II} \\ \mathbf{B}_{19} & = & \frac{3}{4} \, \mathbf{a}_{1} + \left(\frac{3}{4} - x_{3}\right) \, \mathbf{a}_{2}-x_{3} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{z}} & \left(24d\right) & \text{N II} \\ \mathbf{B}_{20} & = & \frac{1}{4} \, \mathbf{a}_{1} + \left(\frac{3}{4} +x_{3}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{z}} & \left(24d\right) & \text{N II} \\ \mathbf{B}_{21} & = & -x_{3} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \left(\frac{3}{4} - x_{3}\right) \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}} & \left(24d\right) & \text{N II} \\ \mathbf{B}_{22} & = & \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \left(\frac{3}{4} +x_{3}\right) \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{y}} & \left(24d\right) & \text{N II} \\ \mathbf{B}_{23} & = & \left(\frac{3}{4} - x_{3}\right) \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{y}}-x_{3}a \, \mathbf{\hat{z}} & \left(24d\right) & \text{N II} \\ \mathbf{B}_{24} & = & \left(\frac{3}{4} +x_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \text{N II} \\ \mathbf{B}_{25} & = & \left(y_{4}+z_{4}\right) \, \mathbf{a}_{1} + \left(x_{4}+z_{4}\right) \, \mathbf{a}_{2} + \left(x_{4}+y_{4}\right) \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + y_{4}a \, \mathbf{\hat{y}} + z_{4}a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{26} & = & \left(\frac{1}{2} - y_{4} + z_{4}\right) \, \mathbf{a}_{1} + \left(-x_{4}+z_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - x_{4} - y_{4}\right) \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - y_{4}\right)a \, \mathbf{\hat{y}} + z_{4}a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{27} & = & \left(y_{4}-z_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{4} - z_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - x_{4} + y_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - x_{4}\right)a \, \mathbf{\hat{x}} + y_{4}a \, \mathbf{\hat{y}}-z_{4}a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{28} & = & \left(\frac{1}{2} - y_{4} - z_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{4} - z_{4}\right) \, \mathbf{a}_{2} + \left(x_{4}-y_{4}\right) \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}}-y_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{4}\right)a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{29} & = & \left(x_{4}+y_{4}\right) \, \mathbf{a}_{1} + \left(y_{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}} + y_{4}a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{30} & = & \left(\frac{1}{2} - x_{4} - y_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{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}} + \left(\frac{1}{2} - y_{4}\right)a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{31} & = & \left(\frac{1}{2} - x_{4} + y_{4}\right) \, \mathbf{a}_{1} + \left(y_{4}-z_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - x_{4} - z_{4}\right) \, \mathbf{a}_{3} & = & -z_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - x_{4}\right)a \, \mathbf{\hat{y}} + y_{4}a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{32} & = & \left(x_{4}-y_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{4} - z_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +x_{4} - z_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - z_{4}\right)a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}}-y_{4}a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{33} & = & \left(x_{4}+z_{4}\right) \, \mathbf{a}_{1} + \left(x_{4}+y_{4}\right) \, \mathbf{a}_{2} + \left(y_{4}+z_{4}\right) \, \mathbf{a}_{3} & = & y_{4}a \, \mathbf{\hat{x}} + z_{4}a \, \mathbf{\hat{y}} + x_{4}a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{34} & = & \left(-x_{4}+z_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{4} - y_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - y_{4} + z_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - y_{4}\right)a \, \mathbf{\hat{x}} + z_{4}a \, \mathbf{\hat{y}}-x_{4}a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{35} & = & \left(\frac{1}{2} - x_{4} - z_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{4} + y_{4}\right) \, \mathbf{a}_{2} + \left(y_{4}-z_{4}\right) \, \mathbf{a}_{3} & = & y_{4}a \, \mathbf{\hat{x}}-z_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} - x_{4}\right)a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{36} & = & \left(\frac{1}{2} +x_{4} - z_{4}\right) \, \mathbf{a}_{1} + \left(x_{4}-y_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - y_{4} - z_{4}\right) \, \mathbf{a}_{3} & = & -y_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - z_{4}\right)a \, \mathbf{\hat{y}} + x_{4}a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{37} & = & \left(-y_{4}-z_{4}\right) \, \mathbf{a}_{1} + \left(-x_{4}-z_{4}\right) \, \mathbf{a}_{2} + \left(-x_{4}-y_{4}\right) \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}}-y_{4}a \, \mathbf{\hat{y}}-z_{4}a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{38} & = & \left(\frac{1}{2} +y_{4} - z_{4}\right) \, \mathbf{a}_{1} + \left(x_{4}-z_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +x_{4} + y_{4}\right) \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{4}\right)a \, \mathbf{\hat{y}}-z_{4}a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{39} & = & \left(-y_{4}+z_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{4} + z_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +x_{4} - y_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{x}}-y_{4}a \, \mathbf{\hat{y}} + z_{4}a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{40} & = & \left(\frac{1}{2} +y_{4} + z_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{4} + z_{4}\right) \, \mathbf{a}_{2} + \left(-x_{4}+y_{4}\right) \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}} + y_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{41} & = & \left(-x_{4}-y_{4}\right) \, \mathbf{a}_{1} + \left(-y_{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}}-y_{4}a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{42} & = & \left(\frac{1}{2} +x_{4} + y_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{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}} + \left(\frac{1}{2} +y_{4}\right)a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{43} & = & \left(\frac{1}{2} +x_{4} - y_{4}\right) \, \mathbf{a}_{1} + \left(-y_{4}+z_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +x_{4} + z_{4}\right) \, \mathbf{a}_{3} & = & z_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{y}}-y_{4}a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{44} & = & \left(-x_{4}+y_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{4} + z_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - x_{4} + z_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +z_{4}\right)a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}} + y_{4}a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{45} & = & \left(-x_{4}-z_{4}\right) \, \mathbf{a}_{1} + \left(-x_{4}-y_{4}\right) \, \mathbf{a}_{2} + \left(-y_{4}-z_{4}\right) \, \mathbf{a}_{3} & = & -y_{4}a \, \mathbf{\hat{x}}-z_{4}a \, \mathbf{\hat{y}}-x_{4}a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{46} & = & \left(x_{4}-z_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{4} + y_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +y_{4} - z_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{4}\right)a \, \mathbf{\hat{x}}-z_{4}a \, \mathbf{\hat{y}} + x_{4}a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{47} & = & \left(\frac{1}{2} +x_{4} + z_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{4} - y_{4}\right) \, \mathbf{a}_{2} + \left(-y_{4}+z_{4}\right) \, \mathbf{a}_{3} & = & -y_{4}a \, \mathbf{\hat{x}} + z_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \mathbf{B}_{48} & = & \left(\frac{1}{2} - x_{4} + z_{4}\right) \, \mathbf{a}_{1} + \left(-x_{4}+y_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +y_{4} + z_{4}\right) \, \mathbf{a}_{3} & = & y_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +z_{4}\right)a \, \mathbf{\hat{y}}-x_{4}a \, \mathbf{\hat{z}} & \left(48e\right) & \text{Li} \\ \end{array} \]