AFLOW Prototype: AB_hR6_160_b_b
Prototype | : | NiS |
AFLOW prototype label | : | AB_hR6_160_b_b |
Strukturbericht designation | : | $B13$ |
Pearson symbol | : | hR6 |
Space group number | : | 160 |
Space group symbol | : | $\text{R3m}$ |
AFLOW prototype command | : | aflow --proto=AB_hR6_160_b_b [--hex] --params=$a$,$c/a$,$x_{1}$,$z_{1}$,$x_{2}$,$z_{2}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & =&x_{1} \, \mathbf{a}_{1}+ x_{1} \, \mathbf{a}_{2}+ z_{1} \, \mathbf{a}_{3}& =&\frac12 \left(x_{1} - z_{1}\right) \, a \, \mathbf{\hat{x}}+ \frac1{2 \sqrt3} \left(x_{1} - z_{1}\right) \, a \, \mathbf{\hat{y}}+ \frac13 \left(2 x_{1} + z_{1}\right) \, c \, \mathbf{\hat{z}}& \left(3b\right) & \text{Ni} \\ \mathbf{B}_{2} & =&z_{1} \, \mathbf{a}_{1}+ x_{1} \, \mathbf{a}_{2}+ x_{1} \, \mathbf{a}_{3}& =&\frac12 \left(z_{1} - x_{1}\right) \, a \, \mathbf{\hat{x}}+ \frac1{2 \sqrt3} \left(x_{1} - z_{1}\right) \, a \, \mathbf{\hat{y}}+ \frac13 \left(2 x_{1} + z_{1}\right) \, c \, \mathbf{\hat{z}}& \left(3b\right) & \text{Ni} \\ \mathbf{B}_{3} & =&x_{1} \, \mathbf{a}_{1}+ z_{1} \, \mathbf{a}_{2}+ x_{1} \, \mathbf{a}_{3}& =&\frac1{\sqrt3} \left(z_{1} - x_{1}\right) \, a \, \mathbf{\hat{y}}+ \frac13 \left(2 x_{1} + z_{1}\right) \, c \, \mathbf{\hat{z}}& \left(3b\right) & \text{Ni} \\ \mathbf{B}_{4} & =&x_{2} \, \mathbf{a}_{1}+ x_{2} \, \mathbf{a}_{2}+ z_{2} \, \mathbf{a}_{3}& =&\frac12 \left(x_{2} - z_{2}\right) \, a \, \mathbf{\hat{x}}+ \frac1{2 \sqrt3} \left(x_{2} - z_{2}\right) \, a \, \mathbf{\hat{y}}+ \frac13 \left(2 x_{2} + z_{2}\right) \, c \, \mathbf{\hat{z}}& \left(3b\right) & \text{S} \\ \mathbf{B}_{5} & =&z_{2} \, \mathbf{a}_{1}+ x_{2} \, \mathbf{a}_{2}+ x_{2} \, \mathbf{a}_{3}& =&\frac12 \left(z_{2} - x_{2}\right) \, a \, \mathbf{\hat{x}}+ \frac1{2 \sqrt3} \left(x_{2} - z_{2}\right) \, a \, \mathbf{\hat{y}}+ \frac13 \left(2 x_{2} + z_{2}\right) \, c \, \mathbf{\hat{z}}& \left(3b\right) & \text{S} \\ \mathbf{B}_{6} & =&x_{2} \, \mathbf{a}_{1}+ z_{2} \, \mathbf{a}_{2}+ x_{2} \, \mathbf{a}_{3}& =&\frac1{\sqrt3} \left(z_{2} - x_{2}\right) \, a \, \mathbf{\hat{y}}+ \frac13 \left(2 x_{2} + z_{2}\right) \, c \, \mathbf{\hat{z}}& \left(3b\right) & \text{S} \\ \end{array} \]