UH4I5
Alexandria ALEXAlex-ID: agm006124804 · 空间群: I4 (#79)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_366_spg79
UH4I5
2023-07-11 10:00:49.692837
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006124804).
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 agm006124804
data_agm006124804
_cell_length_a 6.08423
_cell_length_b 8.62221
_cell_length_c 8.62221
_cell_angle_alpha 82.84900
_cell_angle_beta 69.33991
_cell_angle_gamma 69.33988
_cell_volume 396.01081
_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 0.98402 0.00000 1.00000 1.00000
H1 H 0.01360 0.54013 0.47629 1.00000
H2 H 0.48989 0.52371 0.54013 1.00000
H3 H 0.55373 0.47629 0.45987 1.00000
H4 H 0.03002 0.45987 0.52371 1.00000
I1 I 0.19827 0.65316 0.91757 1.00000
I2 I 0.11584 0.08243 0.65316 1.00000
I3 I 0.85143 0.91757 0.34684 1.00000
I4 I 0.76900 0.34684 0.08243 1.00000
I5 I 0.48392 0.00000 1.00000 1.00000
