U2H2I7
Alexandria ALEXAlex-ID: agm005568635 · 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
A2B2C7_782_spg8
U(HI)2 U(HI2)2 UI4
2023-06-04 18:38:48.343983
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005568635).
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 agm005568635
data_agm005568635
_cell_length_a 4.04221
_cell_length_b 11.22917
_cell_length_c 11.14550
_cell_angle_alpha 102.22267
_cell_angle_beta 79.55231
_cell_angle_gamma 79.63100
_cell_volume 473.51896
_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 0.71359 0.87429 0.69854 1.00000
U2 U 0.27600 0.23990 0.20810 1.00000
H1 H 0.02797 0.89697 0.04708 1.00000
H2 H 0.50553 0.49540 0.49355 1.00000
I1 I 0.89098 0.00771 0.21033 1.00000
I2 I 0.71594 0.42881 0.13931 1.00000
I3 I 0.48194 0.11601 0.92011 1.00000
I4 I 0.61392 0.31638 0.45577 1.00000
I5 I 0.40543 0.67732 0.51181 1.00000
I6 I 0.17352 0.77146 0.88149 1.00000
I7 I 0.19517 0.02963 0.58002 1.00000
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