
AFLOW Prototype: A4B24C13_cI82_217_c_deg_ag
Prototype | : | As4Cu12S13 |
AFLOW prototype label | : | A4B24C13_cI82_217_c_deg_ag |
Strukturbericht designation | : | None |
Pearson symbol | : | cI82 |
Space group number | : | 217 |
Space group symbol | : | $I\bar{4}3m$ |
AFLOW prototype command | : | aflow --proto=A4B24C13_cI82_217_c_deg_ag --params=$a$,$x_{2}$,$x_{4}$,$x_{5}$,$z_{5}$,$x_{6}$,$z_{6}$ |
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(2a\right) & \text{S I} \\ \mathbf{B}_{2} & = & 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(8c\right) & \text{As} \\ \mathbf{B}_{3} & = & -2x_{2} \, \mathbf{a}_{3} & = & -x_{2}a \, \mathbf{\hat{x}}-x_{2}a \, \mathbf{\hat{y}} + x_{2}a \, \mathbf{\hat{z}} & \left(8c\right) & \text{As} \\ \mathbf{B}_{4} & = & -2x_{2} \, \mathbf{a}_{2} & = & -x_{2}a \, \mathbf{\hat{x}} + x_{2}a \, \mathbf{\hat{y}}-x_{2}a \, \mathbf{\hat{z}} & \left(8c\right) & \text{As} \\ \mathbf{B}_{5} & = & -2x_{2} \, \mathbf{a}_{1} & = & x_{2}a \, \mathbf{\hat{x}}-x_{2}a \, \mathbf{\hat{y}}-x_{2}a \, \mathbf{\hat{z}} & \left(8c\right) & \text{As} \\ \mathbf{B}_{6} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} & \left(12d\right) & \text{Cu I} \\ \mathbf{B}_{7} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{z}} & \left(12d\right) & \text{Cu I} \\ \mathbf{B}_{8} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{y}} + \frac{1}{2}a \, \mathbf{\hat{z}} & \left(12d\right) & \text{Cu I} \\ \mathbf{B}_{9} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} & \left(12d\right) & \text{Cu I} \\ \mathbf{B}_{10} & = & \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}a \, \mathbf{\hat{z}} & \left(12d\right) & \text{Cu I} \\ \mathbf{B}_{11} & = & \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}a \, \mathbf{\hat{z}} & \left(12d\right) & \text{Cu I} \\ \mathbf{B}_{12} & = & x_{4} \, \mathbf{a}_{2} + x_{4} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} & \left(12e\right) & \text{Cu II} \\ \mathbf{B}_{13} & = & -x_{4} \, \mathbf{a}_{2}-x_{4} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}} & \left(12e\right) & \text{Cu II} \\ \mathbf{B}_{14} & = & x_{4} \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{y}} & \left(12e\right) & \text{Cu II} \\ \mathbf{B}_{15} & = & -x_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{y}} & \left(12e\right) & \text{Cu II} \\ \mathbf{B}_{16} & = & x_{4} \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} & = & x_{4}a \, \mathbf{\hat{z}} & \left(12e\right) & \text{Cu II} \\ \mathbf{B}_{17} & = & -x_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2} & = & -x_{4}a \, \mathbf{\hat{z}} & \left(12e\right) & \text{Cu II} \\ \mathbf{B}_{18} & = & \left(x_{5}+z_{5}\right) \, \mathbf{a}_{1} + \left(x_{5}+z_{5}\right) \, \mathbf{a}_{2} + 2x_{5} \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}} + z_{5}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{Cu III} \\ \mathbf{B}_{19} & = & \left(-x_{5}+z_{5}\right) \, \mathbf{a}_{1} + \left(-x_{5}+z_{5}\right) \, \mathbf{a}_{2}-2x_{5} \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}} + z_{5}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{Cu III} \\ \mathbf{B}_{20} & = & \left(x_{5}-z_{5}\right) \, \mathbf{a}_{1} + \left(-x_{5}-z_{5}\right) \, \mathbf{a}_{2} & = & -x_{5}a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}}-z_{5}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{Cu III} \\ \mathbf{B}_{21} & = & \left(-x_{5}-z_{5}\right) \, \mathbf{a}_{1} + \left(x_{5}-z_{5}\right) \, \mathbf{a}_{2} & = & x_{5}a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}}-z_{5}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{Cu III} \\ \mathbf{B}_{22} & = & 2x_{5} \, \mathbf{a}_{1} + \left(x_{5}+z_{5}\right) \, \mathbf{a}_{2} + \left(x_{5}+z_{5}\right) \, \mathbf{a}_{3} & = & z_{5}a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}} + x_{5}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{Cu III} \\ \mathbf{B}_{23} & = & -2x_{5} \, \mathbf{a}_{1} + \left(-x_{5}+z_{5}\right) \, \mathbf{a}_{2} + \left(-x_{5}+z_{5}\right) \, \mathbf{a}_{3} & = & z_{5}a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}}-x_{5}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{Cu III} \\ \mathbf{B}_{24} & = & \left(x_{5}-z_{5}\right) \, \mathbf{a}_{2} + \left(-x_{5}-z_{5}\right) \, \mathbf{a}_{3} & = & -z_{5}a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}} + x_{5}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{Cu III} \\ \mathbf{B}_{25} & = & \left(-x_{5}-z_{5}\right) \, \mathbf{a}_{2} + \left(x_{5}-z_{5}\right) \, \mathbf{a}_{3} & = & -z_{5}a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}}-x_{5}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{Cu III} \\ \mathbf{B}_{26} & = & \left(x_{5}+z_{5}\right) \, \mathbf{a}_{1} + 2x_{5} \, \mathbf{a}_{2} + \left(x_{5}+z_{5}\right) \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}} + z_{5}a \, \mathbf{\hat{y}} + x_{5}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{Cu III} \\ \mathbf{B}_{27} & = & \left(-x_{5}+z_{5}\right) \, \mathbf{a}_{1}-2x_{5} \, \mathbf{a}_{2} + \left(-x_{5}+z_{5}\right) \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}} + z_{5}a \, \mathbf{\hat{y}}-x_{5}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{Cu III} \\ \mathbf{B}_{28} & = & \left(-x_{5}-z_{5}\right) \, \mathbf{a}_{1} + \left(x_{5}-z_{5}\right) \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}}-z_{5}a \, \mathbf{\hat{y}}-x_{5}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{Cu III} \\ \mathbf{B}_{29} & = & \left(x_{5}-z_{5}\right) \, \mathbf{a}_{1} + \left(-x_{5}-z_{5}\right) \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}}-z_{5}a \, \mathbf{\hat{y}} + x_{5}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{Cu III} \\ \mathbf{B}_{30} & = & \left(x_{6}+z_{6}\right) \, \mathbf{a}_{1} + \left(x_{6}+z_{6}\right) \, \mathbf{a}_{2} + 2x_{6} \, \mathbf{a}_{3} & = & x_{6}a \, \mathbf{\hat{x}} + x_{6}a \, \mathbf{\hat{y}} + z_{6}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{S II} \\ \mathbf{B}_{31} & = & \left(-x_{6}+z_{6}\right) \, \mathbf{a}_{1} + \left(-x_{6}+z_{6}\right) \, \mathbf{a}_{2}-2x_{6} \, \mathbf{a}_{3} & = & -x_{6}a \, \mathbf{\hat{x}}-x_{6}a \, \mathbf{\hat{y}} + z_{6}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{S II} \\ \mathbf{B}_{32} & = & \left(x_{6}-z_{6}\right) \, \mathbf{a}_{1} + \left(-x_{6}-z_{6}\right) \, \mathbf{a}_{2} & = & -x_{6}a \, \mathbf{\hat{x}} + x_{6}a \, \mathbf{\hat{y}}-z_{6}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{S II} \\ \mathbf{B}_{33} & = & \left(-x_{6}-z_{6}\right) \, \mathbf{a}_{1} + \left(x_{6}-z_{6}\right) \, \mathbf{a}_{2} & = & x_{6}a \, \mathbf{\hat{x}}-x_{6}a \, \mathbf{\hat{y}}-z_{6}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{S II} \\ \mathbf{B}_{34} & = & 2x_{6} \, \mathbf{a}_{1} + \left(x_{6}+z_{6}\right) \, \mathbf{a}_{2} + \left(x_{6}+z_{6}\right) \, \mathbf{a}_{3} & = & z_{6}a \, \mathbf{\hat{x}} + x_{6}a \, \mathbf{\hat{y}} + x_{6}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{S II} \\ \mathbf{B}_{35} & = & -2x_{6} \, \mathbf{a}_{1} + \left(-x_{6}+z_{6}\right) \, \mathbf{a}_{2} + \left(-x_{6}+z_{6}\right) \, \mathbf{a}_{3} & = & z_{6}a \, \mathbf{\hat{x}}-x_{6}a \, \mathbf{\hat{y}}-x_{6}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{S II} \\ \mathbf{B}_{36} & = & \left(x_{6}-z_{6}\right) \, \mathbf{a}_{2} + \left(-x_{6}-z_{6}\right) \, \mathbf{a}_{3} & = & -z_{6}a \, \mathbf{\hat{x}}-x_{6}a \, \mathbf{\hat{y}} + x_{6}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{S II} \\ \mathbf{B}_{37} & = & \left(-x_{6}-z_{6}\right) \, \mathbf{a}_{2} + \left(x_{6}-z_{6}\right) \, \mathbf{a}_{3} & = & -z_{6}a \, \mathbf{\hat{x}} + x_{6}a \, \mathbf{\hat{y}}-x_{6}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{S II} \\ \mathbf{B}_{38} & = & \left(x_{6}+z_{6}\right) \, \mathbf{a}_{1} + 2x_{6} \, \mathbf{a}_{2} + \left(x_{6}+z_{6}\right) \, \mathbf{a}_{3} & = & x_{6}a \, \mathbf{\hat{x}} + z_{6}a \, \mathbf{\hat{y}} + x_{6}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{S II} \\ \mathbf{B}_{39} & = & \left(-x_{6}+z_{6}\right) \, \mathbf{a}_{1}-2x_{6} \, \mathbf{a}_{2} + \left(-x_{6}+z_{6}\right) \, \mathbf{a}_{3} & = & -x_{6}a \, \mathbf{\hat{x}} + z_{6}a \, \mathbf{\hat{y}}-x_{6}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{S II} \\ \mathbf{B}_{40} & = & \left(-x_{6}-z_{6}\right) \, \mathbf{a}_{1} + \left(x_{6}-z_{6}\right) \, \mathbf{a}_{3} & = & x_{6}a \, \mathbf{\hat{x}}-z_{6}a \, \mathbf{\hat{y}}-x_{6}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{S II} \\ \mathbf{B}_{41} & = & \left(x_{6}-z_{6}\right) \, \mathbf{a}_{1} + \left(-x_{6}-z_{6}\right) \, \mathbf{a}_{3} & = & -x_{6}a \, \mathbf{\hat{x}}-z_{6}a \, \mathbf{\hat{y}} + x_{6}a \, \mathbf{\hat{z}} & \left(24g\right) & \text{S II} \\ \end{array} \]