Ce(AlCu)2
Alexandria ALEXAlex-ID: agm005947643 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_5_spg139
CeAl2Cu3 Ce2(AlCu)5 Ce2Al3Cu
2023-08-03 09:19:00.529376
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005947643).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005947643
data_agm005947643
_cell_length_a 4.08888
_cell_length_b 4.08887
_cell_length_c 6.08829
_cell_angle_alpha 109.62109
_cell_angle_beta 109.62110
_cell_angle_gamma 90.00000
_cell_volume 89.57931
_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 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.75000 0.25000 0.50000 1.00000
Al2 Al 0.25000 0.75000 0.50000 1.00000
Cu1 Cu 0.61471 0.61471 0.22941 1.00000
Cu2 Cu 0.38529 0.38529 0.77059 1.00000
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