AFLOW Prototype: A2B_tI12_141_e_a.ThSi2
Prototype | : | ThSi2 |
AFLOW prototype label | : | A2B_tI12_141_e_a |
Strukturbericht designation | : | $C_{c}$ |
Pearson symbol | : | tI12 |
Space group number | : | 141 |
Space group symbol | : | $I4_{1}/amd$ |
AFLOW prototype command | : | aflow --proto=A2B_tI12_141_e_a --params=$a$,$c/a$,$z_{2}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & \frac{7}{8} \, \mathbf{a}_{1} + \frac{1}{8} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{y}} + \frac{1}{8}c \, \mathbf{\hat{z}} & \left(4a\right) & \text{Th} \\ \mathbf{B}_{2} & = & \frac{1}{8} \, \mathbf{a}_{1} + \frac{7}{8} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{y}} + \frac{3}{8}c \, \mathbf{\hat{z}} & \left(4a\right) & \text{Th} \\ \mathbf{B}_{3} & = & \left(\frac{1}{4} +z_{2}\right) \, \mathbf{a}_{1} + z_{2} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(8e\right) & \text{Si} \\ \mathbf{B}_{4} & = & z_{2} \, \mathbf{a}_{1} + \left(\frac{1}{4} +z_{2}\right) \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} + \left(- \frac{1}{4} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \text{Si} \\ \mathbf{B}_{5} & = & \left(\frac{3}{4} - z_{2}\right) \, \mathbf{a}_{1}-z_{2} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(8e\right) & \text{Si} \\ \mathbf{B}_{6} & = & -z_{2} \, \mathbf{a}_{1} + \left(\frac{3}{4} - z_{2}\right) \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{4} - z_{2}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \text{Si} \\ \end{array} \]