Ce3Pa5Al
Alexandria ALEXAlex-ID: agm072709545 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1099_spg8
Ce Pa CeAl2
2024-09-25 19:02:09.891655
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072709545).
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 agm072709545
data_agm072709545
_cell_length_a 4.50644
_cell_length_b 7.39397
_cell_length_c 7.24863
_cell_angle_alpha 106.67742
_cell_angle_beta 108.17996
_cell_angle_gamma 89.96326
_cell_volume 218.76732
_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 0.71665 0.99494 0.33037 1.00000
Ce2 Ce 0.27104 0.32610 0.43846 1.00000
Ce3 Ce 0.39220 0.99530 0.68145 1.00000
Pa1 Pa 0.83734 0.66592 0.57236 1.00000
Pa2 Pa 0.50132 0.67608 0.89935 1.00000
Pa3 Pa 0.60642 0.31972 0.11010 1.00000
Pa4 Pa 0.94838 0.33370 0.79381 1.00000
Pa5 Pa 0.16226 0.66294 0.22092 1.00000
Al1 Al 0.05325 0.99620 0.00347 1.00000
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