AFLOW Prototype: AB2_tP12_81_adg_2h
Prototype | : | GeSe2 |
AFLOW prototype label | : | AB2_tP12_81_adg_2h |
Strukturbericht designation | : | None |
Pearson symbol | : | tP12 |
Space group number | : | 81 |
Space group symbol | : | $P\bar{4}$ |
AFLOW prototype command | : | aflow --proto=AB2_tP12_81_adg_2h --params=$a$,$c/a$,$z_{3}$,$x_{4}$,$y_{4}$,$z_{4}$,$x_{5}$,$y_{5}$,$z_{5}$ |
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{Ge I} \\ \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}c \, \mathbf{\hat{z}} & \left(1d\right) & \text{Ge II} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(2g\right) & \text{Ge III} \\ \mathbf{B}_{4} & = & \frac{1}{2} \, \mathbf{a}_{1}-z_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}-z_{3}c \, \mathbf{\hat{z}} & \left(2g\right) & \text{Ge III} \\ \mathbf{B}_{5} & = & x_{4} \, \mathbf{a}_{1} + y_{4} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + y_{4}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{Se I} \\ \mathbf{B}_{6} & = & -x_{4} \, \mathbf{a}_{1}-y_{4} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}}-y_{4}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{Se I} \\ \mathbf{B}_{7} & = & y_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & y_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{Se I} \\ \mathbf{B}_{8} & = & -y_{4} \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & -y_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{Se I} \\ \mathbf{B}_{9} & = & x_{5} \, \mathbf{a}_{1} + y_{5} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}} + y_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{Se II} \\ \mathbf{B}_{10} & = & -x_{5} \, \mathbf{a}_{1}-y_{5} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}}-y_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{Se II} \\ \mathbf{B}_{11} & = & y_{5} \, \mathbf{a}_{1}-x_{5} \, \mathbf{a}_{2}-z_{5} \, \mathbf{a}_{3} & = & y_{5}a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{Se II} \\ \mathbf{B}_{12} & = & -y_{5} \, \mathbf{a}_{1} + x_{5} \, \mathbf{a}_{2}-z_{5} \, \mathbf{a}_{3} & = & -y_{5}a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{Se II} \\ \end{array} \]