U2(H3I)3
Alexandria ALEXAlex-ID: agm006200978 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C9_829_spg12
H9I U4H15 U(HI)2
2024-02-07 08:35:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200978).
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 agm006200978
data_agm006200978
_cell_length_a 6.56557
_cell_length_b 4.83692
_cell_length_c 8.56839
_cell_angle_alpha 89.96213
_cell_angle_beta 94.64059
_cell_angle_gamma 111.63541
_cell_volume 251.98322
_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 0.27147 0.63586 0.86570 1.00000
U2 U 0.72853 0.36414 0.13430 1.00000
I1 I 0.69030 0.84486 0.36631 1.00000
I2 I 0.00000 0.00000 0.00000 1.00000
I3 I 0.30970 0.15514 0.63369 1.00000
H1 H 0.10662 0.63213 0.30525 1.00000
H2 H 0.10524 0.47305 0.30684 1.00000
H3 H 0.50000 0.00000 0.00000 1.00000
H4 H 0.89476 0.52695 0.69316 1.00000
H5 H 0.56389 0.78221 0.77776 1.00000
H6 H 0.43611 0.21779 0.22224 1.00000
H7 H 0.89338 0.36787 0.69475 1.00000
H8 H 0.00000 0.50000 0.00000 1.00000
H9 H 0.50000 0.50000 0.00000 1.00000
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