UCu(H2Pd)4
Alexandria ALEXAlex-ID: agm006808993 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4D8_125_spg1
U4H15 H4Pd Cu HPd
2025-05-27 07:43:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006808993).
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 agm006808993
data_agm006808993
_cell_length_a 5.38870
_cell_length_b 5.38870
_cell_length_c 6.48123
_cell_angle_alpha 58.84248
_cell_angle_beta 121.15752
_cell_angle_gamma 113.17951
_cell_volume 135.76874
_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 0.33732 0.66268 0.55806 1.00000
Cu1 Cu 0.95277 0.04723 0.87751 1.00000
H1 H 0.21608 0.17439 0.74038 1.00000
H2 H 0.82561 0.78392 0.74038 1.00000
H3 H 0.17396 0.82604 0.14072 1.00000
H4 H 0.39790 0.60210 0.01865 1.00000
H5 H 0.81289 0.76577 0.32258 1.00000
H6 H 0.23423 0.18711 0.32258 1.00000
H7 H 0.72175 0.27825 0.75189 1.00000
H8 H 0.72156 0.27844 0.12862 1.00000
Pd1 Pd 0.60759 0.39241 0.40095 1.00000
Pd2 Pd 0.01765 0.48035 0.00543 1.00000
Pd3 Pd 0.51965 0.98235 0.00543 1.00000
Pd4 Pd 0.97173 0.02827 0.48267 1.00000
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