AFLOW Prototype: A2B3_tI10_139_e_ae
Prototype | : | Au2Nb3 |
AFLOW prototype label | : | A2B3_tI10_139_e_ae |
Strukturbericht designation | : | None |
Pearson symbol | : | tI10 |
Space group number | : | 139 |
Space group symbol | : | $I4/mmm$ |
AFLOW prototype command | : | aflow --proto=A2B3_tI10_139_e_ae --params=$a$,$c/a$,$z_{2}$,$z_{3}$ |
kXunits. We used the conversion factor 1/1.00207789 to convert their units into Ångstroms (Arblaster, 1997).
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(2a\right) & \text{Nb I} \\ \mathbf{B}_{2} & = & z_{2} \, \mathbf{a}_{1} + z_{2} \, \mathbf{a}_{2} & = & z_{2}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{Au} \\ \mathbf{B}_{3} & = & -z_{2} \, \mathbf{a}_{1}-z_{2} \, \mathbf{a}_{2} & = & -z_{2}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{Au} \\ \mathbf{B}_{4} & = & z_{3} \, \mathbf{a}_{1} + z_{3} \, \mathbf{a}_{2} & = & z_{3}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{Nb II} \\ \mathbf{B}_{5} & = & -z_{3} \, \mathbf{a}_{1}-z_{3} \, \mathbf{a}_{2} & = & -z_{3}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{Nb II} \\ \end{array} \]