U4H8O
Alexandria ALEXAlex-ID: agm097698697 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_692_spg1
UH3 U UO2
2025-06-16 02:18:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097698697).
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 agm097698697
data_agm097698697
_cell_length_a 3.65531
_cell_length_b 6.44665
_cell_length_c 6.54916
_cell_angle_alpha 115.78658
_cell_angle_beta 87.04515
_cell_angle_gamma 103.41415
_cell_volume 134.95392
_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 0.55608 0.00844 0.95177 1.00000
U2 U 0.68610 0.52385 0.01510 1.00000
U3 U 0.09725 0.49748 0.48168 1.00000
U4 U 0.08000 0.09605 0.48272 1.00000
H1 H 0.59730 0.16671 0.70304 1.00000
H2 H 0.62129 0.62363 0.71669 1.00000
H3 H 0.68489 0.66041 0.39515 1.00000
H4 H 0.62085 0.18125 0.33970 1.00000
H5 H 0.07470 0.89176 0.68898 1.00000
H6 H 0.15947 0.44089 0.79295 1.00000
H7 H 0.10635 0.30939 0.07525 1.00000
H8 H 0.22051 0.70228 0.27042 1.00000
O1 O 0.99521 0.89786 0.08656 1.00000
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