AFLOW Prototype: AB_hP6_154_a_b
Prototype | : | HgS |
AFLOW prototype label | : | AB_hP6_154_a_b |
Strukturbericht designation | : | $B9$ |
Pearson symbol | : | hP6 |
Space group number | : | 154 |
Space group symbol | : | $\text{P3}_{2}\text{21}$ |
AFLOW prototype command | : | aflow --proto=AB_hP6_154_a_b --params=$a$,$c/a$,$x_{1}$,$x_{2}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & =& x_{1} \, \mathbf{a}_{1} + \frac23 \, \mathbf{a}_{3}& =& \frac12 \, x_{1} \, a \, \mathbf{\hat{x}} - \frac{\sqrt3}2 \, x_{1} \, a \, \mathbf{\hat{y}} +\frac23 \, c \, \mathbf{\hat{z}}& \left(3a\right) & \text{Hg} \\ \mathbf{B}_{2} & =& x_{1} \, \mathbf{a}_{2} + \frac13 \, \mathbf{a}_{3}& =& \frac12 \, x_{1} \, a \, \mathbf{\hat{x}} + \frac{\sqrt3}2 \, x_{1} \, a \, \mathbf{\hat{y}} +\frac13 \, c \, \mathbf{\hat{z}}& \left(3a\right) & \text{Hg} \\ \mathbf{B}_{3} & =& - x_{1} \, \mathbf{a}_{1} - x_{1} \, \mathbf{a}_{2}& =& - x_{1} \, a \, \mathbf{\hat{x}}& \left(3a\right) & \text{Hg} \\ \mathbf{B}_{4} & =& x_{2} \, \mathbf{a}_{1} + \frac16 \, \mathbf{a}_{3}& =& \frac12 \, x_{2} \, a \, \mathbf{\hat{x}} - \frac{\sqrt3}2 \, x_{2} \, a \, \mathbf{\hat{y}} +\frac16 \, c \, \mathbf{\hat{z}}& \left(3b\right) & \text{S} \\ \mathbf{B}_{5} & =& x_{2} \, \mathbf{a}_{2} + \frac56 \, \mathbf{a}_{3}& =& \frac12 \, x_{2} \, a \, \mathbf{\hat{x}} + \frac{\sqrt3}2 \, x_{2} \, a \, \mathbf{\hat{y}} +\frac56 \, c \, \mathbf{\hat{z}}& \left(3b\right) & \text{S} \\ \mathbf{B}_{6} & =& - x_{2} \, \mathbf{a}_{1} - x_{2} \, \mathbf{a}_{2} + \frac12 \, \mathbf{a}_{3}& =& - x_{2} \, a \, \mathbf{\hat{x}} + \frac12 \, c \, \mathbf{\hat{z}}& \left(3b\right) & \text{S} \\ \end{array} \]