LaAl2Cu5
Alexandria ALEXAlex-ID: agm003475889 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_53_spg71
La2Al11Cu15 LaAl4Cu9 LaAlCu4
2022-02-20 08:36:23.912492
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003475889).
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 agm003475889
data_agm003475889
_cell_length_a 3.97872
_cell_length_b 6.33193
_cell_length_c 6.33193
_cell_angle_alpha 63.88113
_cell_angle_beta 71.68876
_cell_angle_gamma 71.68876
_cell_volume 133.05243
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.75711 0.74289 0.74289 1.00000
Al2 Al 0.24289 0.25711 0.25711 1.00000
Cu1 Cu 0.00000 0.50000 0.50000 1.00000
Cu2 Cu 0.63012 0.55198 0.18777 1.00000
Cu3 Cu 0.36988 0.44802 0.81223 1.00000
Cu4 Cu 0.36988 0.81223 0.44802 1.00000
Cu5 Cu 0.63012 0.18777 0.55198 1.00000
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