AFLOW Prototype: A5B3_tP32_130_cg_cf
Prototype | : | BaSi |
AFLOW prototype label | : | A5B3_tP32_130_cg_cf |
Strukturbericht designation | : | None |
Pearson symbol | : | tP32 |
Space group number | : | 130 |
Space group symbol | : | $P4/ncc$ |
AFLOW prototype command | : | aflow --proto=A5B3_tP32_130_cg_cf --params=$a$,$c/a$,$z_{1}$,$z_{2}$,$x_{3}$,$x_{4}$,$y_{4}$,$z_{4}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + z_{1} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} + z_{1}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Ba I} \\ \mathbf{B}_{2} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{1}\right) \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{1}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Ba I} \\ \mathbf{B}_{3} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2}-z_{1} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{y}}-z_{1}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Ba I} \\ \mathbf{B}_{4} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{1}\right) \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{1}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Ba I} \\ \mathbf{B}_{5} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Si I} \\ \mathbf{B}_{6} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{2}\right) \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{2}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Si I} \\ \mathbf{B}_{7} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2}-z_{2} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Si I} \\ \mathbf{B}_{8} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{2}\right) \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Si I} \\ \mathbf{B}_{9} & = & x_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(8f\right) & \text{Si II} \\ \mathbf{B}_{10} & = & \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - x_{3}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(8f\right) & \text{Si II} \\ \mathbf{B}_{11} & = & \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(8f\right) & \text{Si II} \\ \mathbf{B}_{12} & = & -x_{3} \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - x_{3}\right)a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(8f\right) & \text{Si II} \\ \mathbf{B}_{13} & = & -x_{3} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(8f\right) & \text{Si II} \\ \mathbf{B}_{14} & = & \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - x_{3}\right)a \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(8f\right) & \text{Si II} \\ \mathbf{B}_{15} & = & \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - x_{3}\right)a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(8f\right) & \text{Si II} \\ \mathbf{B}_{16} & = & x_{3} \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(8f\right) & \text{Si II} \\ \mathbf{B}_{17} & = & x_{4} \, \mathbf{a}_{1} + y_{4} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + y_{4}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(16g\right) & \text{Ba II} \\ \mathbf{B}_{18} & = & \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{4}\right) \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - x_{4}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - y_{4}\right)a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(16g\right) & \text{Ba II} \\ \mathbf{B}_{19} & = & \left(\frac{1}{2} - y_{4}\right) \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - y_{4}\right)a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(16g\right) & \text{Ba II} \\ \mathbf{B}_{20} & = & y_{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & y_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - x_{4}\right)a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(16g\right) & \text{Ba II} \\ \mathbf{B}_{21} & = & -x_{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{4}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{4}\right)c \, \mathbf{\hat{z}} & \left(16g\right) & \text{Ba II} \\ \mathbf{B}_{22} & = & \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{1}-y_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{x}}-y_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{4}\right)c \, \mathbf{\hat{z}} & \left(16g\right) & \text{Ba II} \\ \mathbf{B}_{23} & = & \left(\frac{1}{2} +y_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{4}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{4}\right)c \, \mathbf{\hat{z}} & \left(16g\right) & \text{Ba II} \\ \mathbf{B}_{24} & = & -y_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{3} & = & -y_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{4}\right)c \, \mathbf{\hat{z}} & \left(16g\right) & \text{Ba II} \\ \mathbf{B}_{25} & = & -x_{4} \, \mathbf{a}_{1}-y_{4} \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}}-y_{4}a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(16g\right) & \text{Ba II} \\ \mathbf{B}_{26} & = & \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{4}\right) \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{4}\right)a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(16g\right) & \text{Ba II} \\ \mathbf{B}_{27} & = & \left(\frac{1}{2} +y_{4}\right) \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{4}\right)a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(16g\right) & \text{Ba II} \\ \mathbf{B}_{28} & = & -y_{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & -y_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(16g\right) & \text{Ba II} \\ \mathbf{B}_{29} & = & x_{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - y_{4}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(16g\right) & \text{Ba II} \\ \mathbf{B}_{30} & = & \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{1} + y_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - x_{4}\right)a \, \mathbf{\hat{x}} + y_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(16g\right) & \text{Ba II} \\ \mathbf{B}_{31} & = & \left(\frac{1}{2} - y_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - y_{4}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - x_{4}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(16g\right) & \text{Ba II} \\ \mathbf{B}_{32} & = & y_{4} \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{3} & = & y_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(16g\right) & \text{Ba II} \\ \end{array} \]