Ce2AlCu6
Alexandria ALEXAlex-ID: agm005665602 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_687_spg164
CeAl2Cu3 CeCu2 CeAlCu5
2023-07-12 08:25:53.888183
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665602).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005665602
data_agm005665602
_cell_length_a 5.84021
_cell_length_b 5.45420
_cell_length_c 5.45464
_cell_angle_alpha 120.00363
_cell_angle_beta 89.99810
_cell_angle_gamma 89.99850
_cell_volume 150.46637
_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 0.84719 0.66667 0.33333 1.00000
Ce2 Ce 0.15281 0.33333 0.66667 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.34011 0.35253 0.17626 1.00000
Cu2 Cu 0.34013 0.82367 0.64736 1.00000
Cu3 Cu 0.34013 0.82371 0.17628 1.00000
Cu4 Cu 0.65989 0.64747 0.82374 1.00000
Cu5 Cu 0.65987 0.17633 0.35264 1.00000
Cu6 Cu 0.65987 0.17629 0.82372 1.00000
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