CeFeCu
Alexandria ALEXAlex-ID: agm005484270 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_63_spg74
CeCu6 CeFe Fe
2023-03-20 19:23:13.884335
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005484270).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005484270
data_agm005484270
_cell_length_a 5.21780
_cell_length_b 5.21780
_cell_length_c 5.21780
_cell_angle_alpha 124.55302
_cell_angle_beta 119.76721
_cell_angle_gamma 86.35090
_cell_volume 96.72618
_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 0.12042 0.87042 0.25000 1.00000
Ce2 Ce 0.87958 0.12958 0.75000 1.00000
Fe1 Fe 0.50000 0.50000 0.00000 1.00000
Fe2 Fe 0.00000 0.50000 0.50000 1.00000
Cu1 Cu 0.50000 0.50000 0.50000 1.00000
Cu2 Cu 0.50000 0.00000 0.00000 1.00000
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