Rb2UCl5F
Alexandria ALEXAlex-ID: agm005167900 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_207_spg107
Rb2U(Cl2F)2 Rb2UCl6
2023-01-20 22:51:34.898746
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005167900).
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 agm005167900
data_agm005167900
_cell_length_a 7.39036
_cell_length_b 7.39036
_cell_length_c 7.39036
_cell_angle_alpha 94.34117
_cell_angle_beta 117.52608
_cell_angle_gamma 117.52608
_cell_volume 295.17415
_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
Rb1 Rb 0.50000 0.24382 0.74382 1.00000
Rb2 Rb 0.50000 0.74382 0.24382 1.00000
U1 U 1.00000 0.99286 0.99286 1.00000
Cl1 Cl 0.48920 0.24013 0.24013 1.00000
Cl2 Cl 0.51080 0.75092 0.75092 1.00000
Cl3 Cl 0.00000 0.75092 0.24013 1.00000
Cl4 Cl 0.00000 0.24013 0.75092 1.00000
Cl5 Cl 1.00000 0.25145 0.25145 1.00000
F1 F 0.00000 0.78600 0.78600 1.00000
获取直接链接