UCd(H3Ru)2
Alexandria ALEXAlex-ID: agm007708312 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_120_spg15
UHRu3 CdH4 UH6Ru Cd
2024-05-29 08:04:10.183330
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007708312).
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
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# CIF generated by HEAS from Alexandria entry agm007708312
data_agm007708312
_cell_length_a 6.02652
_cell_length_b 6.02652
_cell_length_c 5.66053
_cell_angle_alpha 93.71125
_cell_angle_beta 93.71125
_cell_angle_gamma 103.51823
_cell_volume 198.79242
_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 0.62276 0.37724 0.75000 1.00000
U2 U 0.37724 0.62276 0.25000 1.00000
Cd1 Cd 0.13647 0.86353 0.75000 1.00000
Cd2 Cd 0.86353 0.13647 0.25000 1.00000
H1 H 0.54352 0.00822 0.86742 1.00000
H2 H 0.99178 0.45648 0.63258 1.00000
H3 H 0.45648 0.99178 0.13258 1.00000
H4 H 0.00822 0.54352 0.36742 1.00000
H5 H 0.73070 0.77449 0.91689 1.00000
H6 H 0.22551 0.26930 0.58311 1.00000
H7 H 0.26930 0.22551 0.08311 1.00000
H8 H 0.77449 0.73070 0.41689 1.00000
H9 H 0.46257 0.67191 0.63791 1.00000
H10 H 0.32809 0.53743 0.86209 1.00000
H11 H 0.53743 0.32809 0.36209 1.00000
H12 H 0.67191 0.46257 0.13791 1.00000
Ru1 Ru 0.90862 0.67455 0.15694 1.00000
Ru2 Ru 0.32545 0.09138 0.34306 1.00000
Ru3 Ru 0.09138 0.32545 0.84306 1.00000
Ru4 Ru 0.67455 0.90862 0.65694 1.00000
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