Ce5Al4
Alexandria ALEXAlex-ID: agm007818751 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_469_spg12
CeAl2 Ce
2024-03-10 02:35:30.210266
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007818751).
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
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# CIF generated by HEAS from Alexandria entry agm007818751
data_agm007818751
_cell_length_a 5.82532
_cell_length_b 5.82532
_cell_length_c 9.41281
_cell_angle_alpha 64.17862
_cell_angle_beta 64.17862
_cell_angle_gamma 51.15891
_cell_volume 217.86014
_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 0.67892 0.67892 0.43295 1.00000
Ce2 Ce 0.32108 0.32108 0.56705 1.00000
Ce3 Ce 0.64834 0.64834 0.14867 1.00000
Ce4 Ce 0.35166 0.35166 0.85133 1.00000
Ce5 Ce 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.31436 0.31436 0.20890 1.00000
Al2 Al 0.68564 0.68564 0.79110 1.00000
Al3 Al 0.01769 0.01769 0.35111 1.00000
Al4 Al 0.98231 0.98231 0.64889 1.00000
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