U5Rh3
Alexandria ALEXAlex-ID: agm007995659 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5_8_spg140
URh U
2024-07-13 07:16:16.761468
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007995659).
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 agm007995659
data_agm007995659
_cell_length_a 7.56432
_cell_length_b 7.56432
_cell_length_c 7.56432
_cell_angle_alpha 117.07436
_cell_angle_beta 117.07436
_cell_angle_gamma 95.14676
_cell_volume 318.19665
_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 0.45868 0.67075 0.50000 1.00000
U2 U 0.04132 0.54132 0.21207 1.00000
U3 U 0.54132 0.32925 0.50000 1.00000
U4 U 0.67075 0.17075 0.21207 1.00000
U5 U 0.17075 0.95868 0.50000 1.00000
U6 U 0.95868 0.45868 0.78793 1.00000
U7 U 0.00000 0.00000 0.00000 1.00000
U8 U 0.32925 0.82925 0.78793 1.00000
U9 U 0.82925 0.04132 0.50000 1.00000
U10 U 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.33221 0.83221 0.16443 1.00000
Rh2 Rh 0.75000 0.75000 0.00000 1.00000
Rh3 Rh 0.66779 0.16779 0.83557 1.00000
Rh4 Rh 0.16779 0.33221 0.50000 1.00000
Rh5 Rh 0.83221 0.66779 0.50000 1.00000
Rh6 Rh 0.25000 0.25000 0.00000 1.00000
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