AFLOW Prototype: A2B_oP12_19_2a_a
Prototype | : | Ag2Se |
AFLOW prototype label | : | A2B_oP12_19_2a_a |
Strukturbericht designation | : | None |
Pearson symbol | : | oP12 |
Space group number | : | 19 |
Space group symbol | : | $\text{P2}_{1}\text{2}_{1}\text{2}_{1}$ |
AFLOW prototype command | : | aflow --proto=A2B_oP12_19_2a_a --params=$a$,$b/a$,$c/a$,$x_1$,$y_1$,$z_1$,$x_2$,$y_2$,$z_2$,$x_3$,$y_3$,$z_3$ |
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} + y_1 \, \mathbf{a}_{2} + z_1 \, \mathbf{a}_{3}& =& x_1 \, a \, \mathbf{\hat{x}}+ y_1 \, b \, \mathbf{\hat{y}}+ z_1 \, c \, \mathbf{\hat{z}}& \left(4a\right) & \text{Ag I} \\ \mathbf{B_2} & =& \left(\frac12 - x_1\right) \, \mathbf{a}_{1} - y_1 \, \mathbf{a}_{2} + \left(\frac12 + z_1\right) \, \mathbf{a}_{3}& =& \left(\frac12 - x_1\right) \, a \, \mathbf{\hat{x}}- y_1 \, b \, \mathbf{\hat{y}}+ \left(\frac12 + z_1\right) \, c \, \mathbf{\hat{z}}& \left(4a\right) & \text{Ag I} \\ \mathbf{B_3} & =& - x_1 \, \mathbf{a}_{1} + \left(\frac12 + y_1\right) \, \mathbf{a}_{2} + \left(\frac12 -z_1\right) \, \mathbf{a}_{3}& =& - x_1 \, a \, \mathbf{\hat{x}}+ \left(\frac12 + y_1\right) \, b \, \mathbf{\hat{y}}+ \left(\frac12 - z_1\right) \, c \, \mathbf{\hat{z}}& \left(4a\right) & \text{Ag I} \\ \mathbf{B_4} & =& \left(\frac12 + x_1\right) \, \mathbf{a}_{1} + \left(\frac12 - y_1\right) \, \mathbf{a}_{2} - z_1 \, \mathbf{a}_{3}& =& \left(\frac12 + x_1\right) \, a \, \mathbf{\hat{x}}+ \left(\frac12 - y_1\right) \, b \, \mathbf{\hat{y}}- z_1 \, c \, \mathbf{\hat{z}}& \left(4a\right) & \text{Ag I} \\ \mathbf{B_5} & =& x_2 \, \mathbf{a}_{1} + y_2 \, \mathbf{a}_{2} + z_2 \, \mathbf{a}_{3}& =& x_2 \, a \, \mathbf{\hat{x}}+ y_2 \, b \, \mathbf{\hat{y}}+ z_2 \, c \, \mathbf{\hat{z}}& \left(4a\right) & \text{Ag II} \\ \mathbf{B_6} & =& \left(\frac12 - x_2\right) \, \mathbf{a}_{1} - y_2 \, \mathbf{a}_{2} + \left(\frac12 + z_2\right) \, \mathbf{a}_{3}& =& \left(\frac12 - x_2\right) \, a \, \mathbf{\hat{x}}- y_2 \, b \, \mathbf{\hat{y}}+ \left(\frac12 + z_2\right) \, c \, \mathbf{\hat{z}}& \left(4a\right) & \text{Ag II} \\ \mathbf{B_7} & =& - x_2 \, \mathbf{a}_{1} + \left(\frac12 + y_2\right) \, \mathbf{a}_{2} + \left(\frac12 -z_2\right) \, \mathbf{a}_{3}& =& - x_2 \, a \, \mathbf{\hat{x}}+ \left(\frac12 + y_2\right) \, b \, \mathbf{\hat{y}}+ \left(\frac12 - z_2\right) \, c \, \mathbf{\hat{z}}& \left(4a\right) & \text{Ag II} \\ \mathbf{B_8} & =& \left(\frac12 + x_2\right) \, \mathbf{a}_{1} + \left(\frac12 - y_2\right) \, \mathbf{a}_{2} - z_2 \, \mathbf{a}_{3}& =& \left(\frac12 + x_2\right) \, a \, \mathbf{\hat{x}}+ \left(\frac12 - y_2\right) \, b \, \mathbf{\hat{y}}- z_2 \, c \, \mathbf{\hat{z}}& \left(4a\right) & \text{Ag II} \\ \mathbf{B_9} & =& x_3 \, \mathbf{a}_{1} + y_3 \, \mathbf{a}_{2} + z_3 \, \mathbf{a}_{3}& =& x_3 \, a \, \mathbf{\hat{x}}+ y_3 \, b \, \mathbf{\hat{y}}+ z_3 \, c \, \mathbf{\hat{z}}& \left(4a\right) & \text{Se} \\ \mathbf{B}_{10} & =& \left(\frac12 - x_3\right) \, \mathbf{a}_{1} - y_3 \, \mathbf{a}_{2} + \left(\frac12 + z_3\right) \, \mathbf{a}_{3}& =& \left(\frac12 - x_3\right) \, a \, \mathbf{\hat{x}}- y_3 \, b \, \mathbf{\hat{y}}+ \left(\frac12 + z_3\right) \, c \, \mathbf{\hat{z}}& \left(4a\right) & \text{Se} \\ \mathbf{B}_{11} & =& - x_3 \, \mathbf{a}_{1} + \left(\frac12 + y_3\right) \, \mathbf{a}_{2} + \left(\frac12 -z_3\right) \, \mathbf{a}_{3}& =& - x_3 \, a \, \mathbf{\hat{x}}+ \left(\frac12 + y_3\right) \, b \, \mathbf{\hat{y}}+ \left(\frac12 - z_3\right) \, c \, \mathbf{\hat{z}}& \left(4a\right) & \text{Se} \\ \mathbf{B}_{12} & =& \left(\frac12 + x_3\right) \, \mathbf{a}_{1} + \left(\frac12 - y_3\right) \, \mathbf{a}_{2} - z_3 \, \mathbf{a}_{3}& =& \left(\frac12 + x_3\right) \, a \, \mathbf{\hat{x}}+ \left(\frac12 - y_3\right) \, b \, \mathbf{\hat{y}}- z_3 \, c \, \mathbf{\hat{z}}& \left(4a\right) & \text{Se} \\ \end{array} \]