CaRbFe$_{4}$As$_{4}$ (Superconducting) Structure: A4BC4D_tP10_123_gh_a_i_d-001
| Prototype | As$_{4}$CaFe$_{4}$Rb |
| AFLOW prototype label | A4BC4D_tP10_123_gh_a_i_d-001 |
| ICSD | 252344 |
| Pearson symbol | tP10 |
| Space group number | 123 |
| Space group symbol | $P4/mmm$ |
| AFLOW prototype command |
aflow --proto=A4BC4D_tP10_123_gh_a_i_d-001
--params=$a, \allowbreak c/a, \allowbreak z_{3}, \allowbreak z_{4}, \allowbreak z_{5}$ |
Other compounds with this structure
BaCsFe$_{4}$As$_{4}$, BaKFe$_{4}$As$_{4}$, BaRbFe$_{4}$As$_{4}$, CaCsFe$_{4}$As$_{4}$, CaKFe$_{4}$As$_{4}$, EuCsFe$_{4}$As$_{4}$, EuKFe$_{4}$As$_{4}$, EuRbFe$_{4}$As$_{4}$, SrCsFe$_{4}$As$_{4}$, SrKFe$_{4}$As$_{4}$, SrRbFe$_{4}$As$_{4}$
- These compounds form a family of stoichiometric superconductors with transition temperatures $T_{c}$ ranging from 26-37K.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | Ca I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (1d) | Rb I |
| $\mathbf{B_{3}}$ | = | $z_{3} \, \mathbf{a}_{3}$ | = | $c z_{3} \,\mathbf{\hat{z}}$ | (2g) | As I |
| $\mathbf{B_{4}}$ | = | $- z_{3} \, \mathbf{a}_{3}$ | = | $- c z_{3} \,\mathbf{\hat{z}}$ | (2g) | As I |
| $\mathbf{B_{5}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (2h) | As II |
| $\mathbf{B_{6}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ | (2h) | As II |
| $\mathbf{B_{7}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+c z_{5} \,\mathbf{\hat{z}}$ | (4i) | Fe I |
| $\mathbf{B_{8}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+c z_{5} \,\mathbf{\hat{z}}$ | (4i) | Fe I |
| $\mathbf{B_{9}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}- c z_{5} \,\mathbf{\hat{z}}$ | (4i) | Fe I |
| $\mathbf{B_{10}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- c z_{5} \,\mathbf{\hat{z}}$ | (4i) | Fe I |
References
- A. Iyo, K. Kawashima, T. Kinjo, T. Nishio, S. Ishida, H. Fujihisa, Y. Gotoh, K. Kihou, H. Eisaki, and Y. Yoshida, New-Structure-Type Fe-Based Superconductors: CaAFe$_{4}$As$_{4}$ (A = K, Rb, Cs) and SrAFe$_{4}$As$_{4}$ (A = Rb, Cs), J. Am. Chem. Soc. 138, 3410–3415 (2016), doi:10.1021/jacs.5b12571.
Found in
- F. Lochner, F. Ahn, T. Hickel, and I. Eremin, Electronic properties, low-energy Hamiltonian and superconducting instabilities in CaKFe$_{4}$As$_{4}$, Phys. Rev. B 96, 094521 (2017), doi:10.1103/PhysRevB.96.094521.
Prototype Generator
aflow --proto=A4BC4D_tP10_123_gh_a_i_d --params=$a,c/a,z_{3},z_{4},z_{5}$