AFLOW Prototype: ABC_cF12_216_b_c_a
Prototype | : | AgAsMg |
AFLOW prototype label | : | ABC_cF12_216_b_c_a |
Strukturbericht designation | : | $C1_{b}$ |
Pearson symbol | : | cF12 |
Space group number | : | 216 |
Space group symbol | : | $\text{F}\bar{4}\text{3m}$ |
AFLOW prototype command | : | aflow --proto=ABC_cF12_216_b_c_a --params=$a$ |
half–Heuslerstructure because it is identical to the L21 (Heusler) structure with half of the copper atoms missing. The Mg and Ag atoms form a rock salt (B1) structure, while the As and either the Mg or Ag atoms form a zincblende (B3) structure. If the atoms on the (4a) and (4c) sites are identical, this reduces to the fluorite (C1) structure.
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(4a\right) & \text{Mg} \\ \mathbf{B}_{2} & =& \frac12 \mathbf{a}_{1} + \frac12 \mathbf{a}_{2} + \frac12\mathbf{a}_{3}& =& \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{y}} + \frac12 \, a \, \mathbf{\hat{z}}& \left(4b\right) & \text{Ag} \\ \mathbf{B}_{3} & =& \frac14 \mathbf{a}_{1} + \frac14 \mathbf{a}_{2} + \frac14\mathbf{a}_{3}& =& \frac14 \, a \, \mathbf{\hat{x}} + \frac14 \, a \, \mathbf{\hat{y}} + \frac14 \, a \, \mathbf{\hat{z}}& \left(4c\right) & \text{As} \\ \end{array} \]