Ce3Al2Fe7
Alexandria ALEXAlex-ID: agm024697733 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_69_spg12
CeAlFe Fe CeFe
2025-05-15 09:27:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024697733).
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 agm024697733
data_agm024697733
_cell_length_a 5.16355
_cell_length_b 5.16230
_cell_length_c 8.69826
_cell_angle_alpha 72.75130
_cell_angle_beta 72.72064
_cell_angle_gamma 59.94365
_cell_volume 188.53733
_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
Ce2 Ce 0.14102 0.14142 0.57641 1.00000
Ce3 Ce 0.85898 0.85858 0.42359 1.00000
Al1 Al 0.33239 0.33217 0.00262 1.00000
Al2 Al 0.66761 0.66783 0.99738 1.00000
Fe1 Fe 0.50000 0.50000 0.50000 1.00000
Fe2 Fe 0.58100 0.58129 0.75158 1.00000
Fe3 Fe 0.58104 0.08621 0.75145 1.00000
Fe4 Fe 0.08624 0.58113 0.75151 1.00000
Fe5 Fe 0.41900 0.41871 0.24842 1.00000
Fe6 Fe 0.91376 0.41887 0.24849 1.00000
Fe7 Fe 0.41896 0.91379 0.24855 1.00000
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