Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: A2B3C5_mC40_12_2i_3i_5i-001

If you are using this page, please cite:
H. Eckert, S. Divilov, M. J. Mehl, D. Hicks, A. C. Zettel, M. Esters. X. Campilongo and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 4. Submitted to Computational Materials Science.

Links to this page

https://aflow.org/p/422U
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Pr$_{5}$Co$_{2}$Ge$_{4}$ Structure: A2B3C5_mC40_12_2i_3i_5i-001

Picture of Structure; Click for Big Picture
Prototype Co$_{2}$Ge$_{4}$Pr$_{5}$
AFLOW prototype label A2B3C5_mC40_12_2i_3i_5i-001
CCDC 1882993
Pearson symbol mC40
Space group number 12
Space group symbol $C2/m$
AFLOW prototype command aflow --proto=A2B3C5_mC40_12_2i_3i_5i-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak \beta, \allowbreak x_{1}, \allowbreak z_{1}, \allowbreak x_{2}, \allowbreak z_{2}, \allowbreak x_{3}, \allowbreak z_{3}, \allowbreak x_{4}, \allowbreak z_{4}, \allowbreak x_{5}, \allowbreak z_{5}, \allowbreak x_{6}, \allowbreak z_{6}, \allowbreak x_{7}, \allowbreak z_{7}, \allowbreak x_{8}, \allowbreak z_{8}, \allowbreak x_{9}, \allowbreak z_{9}, \allowbreak x_{10}, \allowbreak z_{10}$

Other compounds with this structure

Ce$_{5}$Co$_{2}$Ge$_{4}$,  La$_{5}$Co$_{2}$Ge$_{4}$,  Nd$_{5}$Co$_{2}$Ge$_{4}$,  Pm$_{5}$Co$_{2}$Ge$_{4}$,  Sm$_{5}$Co$_{2}$Ge$_{4}$


\[ \begin{array}{ccc} \mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \cos{\beta} \,\mathbf{\hat{x}}+c \sin{\beta} \,\mathbf{\hat{z}} \end{array}\]

Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
$\mathbf{B_{1}}$ = $x_{1} \, \mathbf{a}_{1}+x_{1} \, \mathbf{a}_{2}+z_{1} \, \mathbf{a}_{3}$ = $\left(a x_{1} + c z_{1} \cos{\beta}\right) \,\mathbf{\hat{x}}+c z_{1} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Co I
$\mathbf{B_{2}}$ = $- x_{1} \, \mathbf{a}_{1}- x_{1} \, \mathbf{a}_{2}- z_{1} \, \mathbf{a}_{3}$ = $- \left(a x_{1} + c z_{1} \cos{\beta}\right) \,\mathbf{\hat{x}}- c z_{1} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Co I
$\mathbf{B_{3}}$ = $x_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}+z_{2} \, \mathbf{a}_{3}$ = $\left(a x_{2} + c z_{2} \cos{\beta}\right) \,\mathbf{\hat{x}}+c z_{2} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Co II
$\mathbf{B_{4}}$ = $- x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}$ = $- \left(a x_{2} + c z_{2} \cos{\beta}\right) \,\mathbf{\hat{x}}- c z_{2} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Co II
$\mathbf{B_{5}}$ = $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ = $\left(a x_{3} + c z_{3} \cos{\beta}\right) \,\mathbf{\hat{x}}+c z_{3} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Ge I
$\mathbf{B_{6}}$ = $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ = $- \left(a x_{3} + c z_{3} \cos{\beta}\right) \,\mathbf{\hat{x}}- c z_{3} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Ge I
$\mathbf{B_{7}}$ = $x_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ = $\left(a x_{4} + c z_{4} \cos{\beta}\right) \,\mathbf{\hat{x}}+c z_{4} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Ge II
$\mathbf{B_{8}}$ = $- x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ = $- \left(a x_{4} + c z_{4} \cos{\beta}\right) \,\mathbf{\hat{x}}- c z_{4} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Ge II
$\mathbf{B_{9}}$ = $x_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ = $\left(a x_{5} + c z_{5} \cos{\beta}\right) \,\mathbf{\hat{x}}+c z_{5} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Ge III
$\mathbf{B_{10}}$ = $- x_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ = $- \left(a x_{5} + c z_{5} \cos{\beta}\right) \,\mathbf{\hat{x}}- c z_{5} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Ge III
$\mathbf{B_{11}}$ = $x_{6} \, \mathbf{a}_{1}+x_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ = $\left(a x_{6} + c z_{6} \cos{\beta}\right) \,\mathbf{\hat{x}}+c z_{6} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Pr I
$\mathbf{B_{12}}$ = $- x_{6} \, \mathbf{a}_{1}- x_{6} \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ = $- \left(a x_{6} + c z_{6} \cos{\beta}\right) \,\mathbf{\hat{x}}- c z_{6} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Pr I
$\mathbf{B_{13}}$ = $x_{7} \, \mathbf{a}_{1}+x_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ = $\left(a x_{7} + c z_{7} \cos{\beta}\right) \,\mathbf{\hat{x}}+c z_{7} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Pr II
$\mathbf{B_{14}}$ = $- x_{7} \, \mathbf{a}_{1}- x_{7} \, \mathbf{a}_{2}- z_{7} \, \mathbf{a}_{3}$ = $- \left(a x_{7} + c z_{7} \cos{\beta}\right) \,\mathbf{\hat{x}}- c z_{7} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Pr II
$\mathbf{B_{15}}$ = $x_{8} \, \mathbf{a}_{1}+x_{8} \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ = $\left(a x_{8} + c z_{8} \cos{\beta}\right) \,\mathbf{\hat{x}}+c z_{8} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Pr III
$\mathbf{B_{16}}$ = $- x_{8} \, \mathbf{a}_{1}- x_{8} \, \mathbf{a}_{2}- z_{8} \, \mathbf{a}_{3}$ = $- \left(a x_{8} + c z_{8} \cos{\beta}\right) \,\mathbf{\hat{x}}- c z_{8} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Pr III
$\mathbf{B_{17}}$ = $x_{9} \, \mathbf{a}_{1}+x_{9} \, \mathbf{a}_{2}+z_{9} \, \mathbf{a}_{3}$ = $\left(a x_{9} + c z_{9} \cos{\beta}\right) \,\mathbf{\hat{x}}+c z_{9} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Pr IV
$\mathbf{B_{18}}$ = $- x_{9} \, \mathbf{a}_{1}- x_{9} \, \mathbf{a}_{2}- z_{9} \, \mathbf{a}_{3}$ = $- \left(a x_{9} + c z_{9} \cos{\beta}\right) \,\mathbf{\hat{x}}- c z_{9} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Pr IV
$\mathbf{B_{19}}$ = $x_{10} \, \mathbf{a}_{1}+x_{10} \, \mathbf{a}_{2}+z_{10} \, \mathbf{a}_{3}$ = $\left(a x_{10} + c z_{10} \cos{\beta}\right) \,\mathbf{\hat{x}}+c z_{10} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Pr V
$\mathbf{B_{20}}$ = $- x_{10} \, \mathbf{a}_{1}- x_{10} \, \mathbf{a}_{2}- z_{10} \, \mathbf{a}_{3}$ = $- \left(a x_{10} + c z_{10} \cos{\beta}\right) \,\mathbf{\hat{x}}- c z_{10} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Pr V

References

  • Q. Lin, K. Aguirre, S. M. Saunders, T. A. Hackett, Y. Liu, V. Taufour, D. Paudyal, S. Budko, P. C. Canfield, and G. J. Miller, Polar Intermetallics Pr$_{5}$Co$_{2}$Ge$_{3}$ and Pr$_{7}$Co$_{2}$Ge$_{4}$ with Planar Hydrocarbon‐Like Metal Clusters, Chem. Europ. J. 23, 10516–10521 (2017), doi:10.1002/chem.201702798.

Found in

  • L. Xiang, E. Gati, S. L. Bud'ko, S. M. Saunders, and P. C. Canfield, Avoided ferromagnetic quantum critical point in pressurized La$_{5}$Co$_{2}$Ge$_{3}$, Phys. Rev. B 103, 054419 (2021), doi:10.1103/PhysRevB.103.054419.

Prototype Generator

aflow --proto=A2B3C5_mC40_12_2i_3i_5i --params=$a,b/a,c/a,\beta,x_{1},z_{1},x_{2},z_{2},x_{3},z_{3},x_{4},z_{4},x_{5},z_{5},x_{6},z_{6},x_{7},z_{7},x_{8},z_{8},x_{9},z_{9},x_{10},z_{10}$

Species:

Running:

Output: