U2Cu2H5
Alexandria ALEXAlex-ID: agm007138570 · 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
A2B2C5_1_spg46
U Cu UH3
2024-01-27 18:30:31.168616
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007138570).
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 agm007138570
data_agm007138570
_cell_length_a 8.33090
_cell_length_b 8.33090
_cell_length_c 8.33090
_cell_angle_alpha 145.70455
_cell_angle_beta 145.45213
_cell_angle_gamma 49.47380
_cell_volume 183.90203
_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 0.38488 0.87605 0.50882 1.00000
U2 U 0.11508 0.62392 0.49115 1.00000
U3 U 0.86723 0.37608 0.49115 1.00000
U4 U 0.63277 0.12395 0.50882 1.00000
Cu1 Cu 0.24999 0.25000 0.99999 1.00000
Cu2 Cu 0.75000 0.75000 0.99999 1.00000
Cu3 Cu 0.44091 0.50000 0.94091 1.00000
Cu4 Cu 0.05910 0.00000 0.05910 1.00000
H1 H 0.00353 0.00353 0.50001 1.00000
H2 H 0.49648 0.99647 0.99999 1.00000
H3 H 0.00353 0.50352 0.99999 1.00000
H4 H 0.49648 0.49648 0.50001 1.00000
H5 H 0.36926 0.37796 0.99130 1.00000
H6 H 0.13076 0.12204 0.00872 1.00000
H7 H 0.88668 0.87796 0.00872 1.00000
H8 H 0.61333 0.62204 0.99130 1.00000
H9 H 0.75000 0.75000 0.50000 1.00000
H10 H 0.75000 0.25000 0.99999 1.00000
获取直接链接