AFLOW Prototype: A3B_hP12_191_gl_f
Prototype | : | O3W |
AFLOW prototype label | : | A3B_hP12_191_gl_f |
Strukturbericht designation | : | None |
Pearson symbol | : | hP12 |
Space group number | : | 191 |
Space group symbol | : | $P6/mmm$ |
AFLOW prototype command | : | aflow --proto=A3B_hP12_191_gl_f --params=$a$,$c/a$,$x_{3}$ |
The transition temperatures display large hysteresis effects and universal agreement is not found in the literature.
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & \frac{1}{2} \, \mathbf{a}_{1} & = & \frac{1}{4}a \, \mathbf{\hat{x}}- \frac{\sqrt{3}}{4}a \, \mathbf{\hat{y}} & \left(3f\right) & \text{W} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{2} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{4}a \, \mathbf{\hat{y}} & \left(3f\right) & \text{W} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & \frac{1}{2}a \, \mathbf{\hat{x}} & \left(3f\right) & \text{W} \\ \mathbf{B}_{4} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}}- \frac{\sqrt{3}}{4}a \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(3g\right) & \text{O I} \\ \mathbf{B}_{5} & = & \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{4}a \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(3g\right) & \text{O I} \\ \mathbf{B}_{6} & = & \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}c \, \mathbf{\hat{z}} & \left(3g\right) & \text{O I} \\ \mathbf{B}_{7} & = & x_{3} \, \mathbf{a}_{1} + 2x_{3} \, \mathbf{a}_{2} & = & \frac{3}{2}x_{3}a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}x_{3}a \, \mathbf{\hat{y}} & \left(6l\right) & \text{O II} \\ \mathbf{B}_{8} & = & -2x_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} & = & -\frac{3}{2}x_{3}a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}x_{3}a \, \mathbf{\hat{y}} & \left(6l\right) & \text{O II} \\ \mathbf{B}_{9} & = & x_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} & = & -\sqrt{3}x_{3}a \, \mathbf{\hat{y}} & \left(6l\right) & \text{O II} \\ \mathbf{B}_{10} & = & -x_{3} \, \mathbf{a}_{1}-2x_{3} \, \mathbf{a}_{2} & = & -\frac{3}{2}x_{3}a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}x_{3}a \, \mathbf{\hat{y}} & \left(6l\right) & \text{O II} \\ \mathbf{B}_{11} & = & 2x_{3} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} & = & \frac{3}{2}x_{3}a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}x_{3}a \, \mathbf{\hat{y}} & \left(6l\right) & \text{O II} \\ \mathbf{B}_{12} & = & -x_{3} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} & = & \sqrt{3}x_{3}a \, \mathbf{\hat{y}} & \left(6l\right) & \text{O II} \\ \end{array} \]