AFLOW Prototype: AB8C2_tI44_97_e_2k_cd
Prototype | : | Ta2Se8I |
AFLOW prototype label | : | AB8C2_tI44_97_e_2k_cd |
Strukturbericht designation | : | None |
Pearson symbol | : | tI44 |
Space group number | : | 97 |
Space group symbol | : | $I422$ |
AFLOW prototype command | : | aflow --proto=AB8C2_tI44_97_e_2k_cd --params=$a$,$c/a$,$z_{3}$,$x_{4}$,$y_{4}$,$z_{4}$,$x_{5}$,$y_{5}$,$z_{5}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} & \left(4c\right) & \text{Ta I} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} & \left(4c\right) & \text{Ta I} \\ \mathbf{B}_{3} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4d\right) & \text{Ta II} \\ \mathbf{B}_{4} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4d\right) & \text{Ta II} \\ \mathbf{B}_{5} & = & z_{3} \, \mathbf{a}_{1} + z_{3} \, \mathbf{a}_{2} & = & z_{3}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{I} \\ \mathbf{B}_{6} & = & -z_{3} \, \mathbf{a}_{1}-z_{3} \, \mathbf{a}_{2} & = & -z_{3}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{I} \\ \mathbf{B}_{7} & = & \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}c \, \mathbf{\hat{z}} & \left(16k\right) & \text{Se I} \\ \mathbf{B}_{8} & = & \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}c \, \mathbf{\hat{z}} & \left(16k\right) & \text{Se I} \\ \mathbf{B}_{9} & = & \left(x_{4}+z_{4}\right) \, \mathbf{a}_{1} + \left(-y_{4}+z_{4}\right) \, \mathbf{a}_{2} + \left(x_{4}-y_{4}\right) \, \mathbf{a}_{3} & = & -y_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(16k\right) & \text{Se I} \\ \mathbf{B}_{10} & = & \left(-x_{4}+z_{4}\right) \, \mathbf{a}_{1} + \left(y_{4}+z_{4}\right) \, \mathbf{a}_{2} + \left(-x_{4}+y_{4}\right) \, \mathbf{a}_{3} & = & y_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(16k\right) & \text{Se I} \\ \mathbf{B}_{11} & = & \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}c \, \mathbf{\hat{z}} & \left(16k\right) & \text{Se I} \\ \mathbf{B}_{12} & = & \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}c \, \mathbf{\hat{z}} & \left(16k\right) & \text{Se I} \\ \mathbf{B}_{13} & = & \left(x_{4}-z_{4}\right) \, \mathbf{a}_{1} + \left(y_{4}-z_{4}\right) \, \mathbf{a}_{2} + \left(x_{4}+y_{4}\right) \, \mathbf{a}_{3} & = & y_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(16k\right) & \text{Se I} \\ \mathbf{B}_{14} & = & \left(-x_{4}-z_{4}\right) \, \mathbf{a}_{1} + \left(-y_{4}-z_{4}\right) \, \mathbf{a}_{2} + \left(-x_{4}-y_{4}\right) \, \mathbf{a}_{3} & = & -y_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(16k\right) & \text{Se I} \\ \mathbf{B}_{15} & = & \left(y_{5}+z_{5}\right) \, \mathbf{a}_{1} + \left(x_{5}+z_{5}\right) \, \mathbf{a}_{2} + \left(x_{5}+y_{5}\right) \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}} + y_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(16k\right) & \text{Se II} \\ \mathbf{B}_{16} & = & \left(-y_{5}+z_{5}\right) \, \mathbf{a}_{1} + \left(-x_{5}+z_{5}\right) \, \mathbf{a}_{2} + \left(-x_{5}-y_{5}\right) \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}}-y_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(16k\right) & \text{Se II} \\ \mathbf{B}_{17} & = & \left(x_{5}+z_{5}\right) \, \mathbf{a}_{1} + \left(-y_{5}+z_{5}\right) \, \mathbf{a}_{2} + \left(x_{5}-y_{5}\right) \, \mathbf{a}_{3} & = & -y_{5}a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(16k\right) & \text{Se II} \\ \mathbf{B}_{18} & = & \left(-x_{5}+z_{5}\right) \, \mathbf{a}_{1} + \left(y_{5}+z_{5}\right) \, \mathbf{a}_{2} + \left(-x_{5}+y_{5}\right) \, \mathbf{a}_{3} & = & y_{5}a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(16k\right) & \text{Se II} \\ \mathbf{B}_{19} & = & \left(y_{5}-z_{5}\right) \, \mathbf{a}_{1} + \left(-x_{5}-z_{5}\right) \, \mathbf{a}_{2} + \left(-x_{5}+y_{5}\right) \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}} + y_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(16k\right) & \text{Se II} \\ \mathbf{B}_{20} & = & \left(-y_{5}-z_{5}\right) \, \mathbf{a}_{1} + \left(x_{5}-z_{5}\right) \, \mathbf{a}_{2} + \left(x_{5}-y_{5}\right) \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}}-y_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(16k\right) & \text{Se II} \\ \mathbf{B}_{21} & = & \left(x_{5}-z_{5}\right) \, \mathbf{a}_{1} + \left(y_{5}-z_{5}\right) \, \mathbf{a}_{2} + \left(x_{5}+y_{5}\right) \, \mathbf{a}_{3} & = & y_{5}a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(16k\right) & \text{Se II} \\ \mathbf{B}_{22} & = & \left(-x_{5}-z_{5}\right) \, \mathbf{a}_{1} + \left(-y_{5}-z_{5}\right) \, \mathbf{a}_{2} + \left(-x_{5}-y_{5}\right) \, \mathbf{a}_{3} & = & -y_{5}a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(16k\right) & \text{Se II} \\ \end{array} \]