Ce2Al(Zn4Cu)3
Alexandria ALEXAlex-ID: agm004500643 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_101_spg166
Ce3Zn11 CeZn9Cu2 Ce3Zn22 Ce2(AlCu)5
2022-06-18 16:35:23.768146
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004500643).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm004500643
data_agm004500643
_cell_length_a 7.57570
_cell_length_b 7.57570
_cell_length_c 7.57570
_cell_angle_alpha 68.59958
_cell_angle_beta 68.59958
_cell_angle_gamma 68.59958
_cell_volume 363.17512
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ce1 Ce 0.57867 0.57867 0.57867 1.00000
Ce2 Ce 0.42133 0.42133 0.42133 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.34702 0.34702 0.99998 1.00000
Zn2 Zn 0.85397 0.85397 0.35811 1.00000
Zn3 Zn 0.35811 0.85397 0.85397 1.00000
Zn4 Zn 0.99998 0.34702 0.34702 1.00000
Zn5 Zn 0.85397 0.35811 0.85397 1.00000
Zn6 Zn 0.34702 0.99998 0.34702 1.00000
Zn7 Zn 0.65298 0.65298 0.00002 1.00000
Zn8 Zn 0.14603 0.14603 0.64189 1.00000
Zn9 Zn 0.64189 0.14603 0.14603 1.00000
Zn10 Zn 0.00002 0.65298 0.65298 1.00000
Zn11 Zn 0.14603 0.64189 0.14603 1.00000
Zn12 Zn 0.65298 0.00002 0.65298 1.00000
Cu1 Cu 0.50000 0.00000 0.00000 1.00000
Cu2 Cu 0.00000 0.50000 0.00000 1.00000
Cu3 Cu 0.00000 0.00000 0.50000 1.00000
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