AFLOW Prototype: ABC2_tP4_115_a_c_g
Prototype | : | CuFeS2 |
AFLOW prototype label | : | ABC2_tP4_115_a_c_g |
Strukturbericht designation | : | $F6_{1}$ |
Pearson symbol | : | tP4 |
Space group number | : | 115 |
Space group symbol | : | $P\bar{4}m2$ |
AFLOW prototype command | : | aflow --proto=ABC2_tP4_115_a_c_g --params=$a$,$c/a$,$z_{3}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(1a\right) & \text{Cu} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(1c\right) & \text{Fe} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(2g\right) & \text{S} \\ \mathbf{B}_{4} & = & \frac{1}{2} \, \mathbf{a}_{1}-z_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}-z_{3}c \, \mathbf{\hat{z}} & \left(2g\right) & \text{S} \\ \end{array} \]