Ce3(URu2)2
Alexandria ALEXAlex-ID: agm005668563 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_361_spg12
Ce2URu3 Ce16Ru9 U
2023-06-28 04:00:20.487393
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668563).
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 agm005668563
data_agm005668563
_cell_length_a 4.24841
_cell_length_b 5.83812
_cell_length_c 8.74868
_cell_angle_alpha 101.26066
_cell_angle_beta 90.00000
_cell_angle_gamma 111.33684
_cell_volume 197.62645
_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 0.36451 0.72902 0.60352 1.00000
Ce2 Ce 0.00000 0.00000 0.00000 1.00000
Ce3 Ce 0.63549 0.27098 0.39648 1.00000
U1 U 0.32293 0.64586 0.22820 1.00000
U2 U 0.67707 0.35414 0.77180 1.00000
Ru1 Ru 0.71195 0.42389 0.09518 1.00000
Ru2 Ru 0.06810 0.13621 0.65620 1.00000
Ru3 Ru 0.93190 0.86379 0.34380 1.00000
Ru4 Ru 0.28805 0.57611 0.90482 1.00000
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