AFLOW Prototype: AB12C_cP14_221_a_h_b
Prototype | : | CaH12Y |
AFLOW prototype label | : | AB12C_cP14_221_a_h_b |
Strukturbericht designation | : | None |
Pearson symbol | : | cP14 |
Space group number | : | 221 |
Space group symbol | : | $Pm\bar{3}m$ |
AFLOW prototype command | : | aflow --proto=AB12C_cP14_221_a_h_b --params=$a$,$x_{3}$ |
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(1a\right) & \text{Ca} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{1}{2}a \, \mathbf{\hat{z}} & \left(1b\right) & \text{Y} \\ \mathbf{B}_{3} & = & x_{3} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & x_{3}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} & \left(12h\right) & \text{H} \\ \mathbf{B}_{4} & = & -x_{3} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & -x_{3}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} & \left(12h\right) & \text{H} \\ \mathbf{B}_{5} & = & x_{3} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{y}} + \frac{1}{2}a \, \mathbf{\hat{z}} & \left(12h\right) & \text{H} \\ \mathbf{B}_{6} & = & -x_{3} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{y}} + \frac{1}{2}a \, \mathbf{\hat{z}} & \left(12h\right) & \text{H} \\ \mathbf{B}_{7} & = & \frac{1}{2} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{z}} & \left(12h\right) & \text{H} \\ \mathbf{B}_{8} & = & \frac{1}{2} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{z}} & \left(12h\right) & \text{H} \\ \mathbf{B}_{9} & = & \frac{1}{2} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}} & \left(12h\right) & \text{H} \\ \mathbf{B}_{10} & = & \frac{1}{2} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} & = & \frac{1}{2}a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}} & \left(12h\right) & \text{H} \\ \mathbf{B}_{11} & = & x_{3} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{z}} & \left(12h\right) & \text{H} \\ \mathbf{B}_{12} & = & -x_{3} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{z}} & \left(12h\right) & \text{H} \\ \mathbf{B}_{13} & = & \frac{1}{2} \, \mathbf{a}_{2}-x_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}}-x_{3}a \, \mathbf{\hat{z}} & \left(12h\right) & \text{H} \\ \mathbf{B}_{14} & = & \frac{1}{2} \, \mathbf{a}_{2} + x_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + x_{3}a \, \mathbf{\hat{z}} & \left(12h\right) & \text{H} \\ \end{array} \]