U5Re3
Alexandria ALEXAlex-ID: agm005535296 · 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
A3B5_100_spg12
U2Re Re
2023-05-28 05:06:52.508000
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005535296).
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 agm005535296
data_agm005535296
_cell_length_a 5.23266
_cell_length_b 7.70421
_cell_length_c 8.40727
_cell_angle_alpha 86.31268
_cell_angle_beta 71.86854
_cell_angle_gamma 78.07344
_cell_volume 315.14432
_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
U1 U 0.75698 0.57027 0.50000 1.00000
U2 U 0.24385 0.42889 0.50000 1.00000
U3 U 0.23861 0.70288 0.82959 1.00000
U4 U 0.76222 0.29629 0.17041 1.00000
U5 U 0.30765 0.16845 0.29785 1.00000
U6 U 0.69318 0.83072 0.70215 1.00000
U7 U 0.43263 0.29629 0.82959 1.00000
U8 U 0.56820 0.70288 0.17041 1.00000
U9 U 0.89533 0.83072 0.29785 1.00000
U10 U 0.10551 0.16845 0.70215 1.00000
Re1 Re 0.24697 0.99957 0.00692 1.00000
Re2 Re 0.75389 0.99957 0.99308 1.00000
Re3 Re 0.74900 0.13837 0.50000 1.00000
Re4 Re 0.25182 0.86078 0.50000 1.00000
Re5 Re 0.81136 0.49960 0.87811 1.00000
Re6 Re 0.18947 0.49960 0.12189 1.00000
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