RbU3F13
Alexandria ALEXAlex-ID: agm005264963 · 空间群: Pmc2_1 (#26)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C13_19_spg26
RbUF6 U4F15 RbUF5
2024-10-19 22:28:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005264963).
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 agm005264963
data_agm005264963
_cell_length_a 7.40346
_cell_length_b 8.07161
_cell_length_c 8.52992
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 509.72951
_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 0.39699 0.50000 0.26131 1.00000
Rb2 Rb 0.60301 0.50000 0.76131 1.00000
U1 U 0.89441 0.25238 0.12167 1.00000
U2 U 0.89441 0.74762 0.12167 1.00000
U3 U 0.10559 0.74762 0.62167 1.00000
U4 U 0.10559 0.25238 0.62167 1.00000
U5 U 0.61153 0.00000 0.46086 1.00000
U6 U 0.38847 0.00000 0.96086 1.00000
F1 F 0.81097 0.17017 0.59747 1.00000
F2 F 0.81097 0.82983 0.59747 1.00000
F3 F 0.18903 0.82983 0.09747 1.00000
F4 F 0.18903 0.17017 0.09747 1.00000
F5 F 0.60791 0.19367 0.00803 1.00000
F6 F 0.60791 0.80633 0.00803 1.00000
F7 F 0.39209 0.80633 0.50803 1.00000
F8 F 0.39209 0.19367 0.50803 1.00000
F9 F 0.68235 0.25915 0.31848 1.00000
F10 F 0.68235 0.74085 0.31848 1.00000
F11 F 0.31765 0.74085 0.81848 1.00000
F12 F 0.31765 0.25915 0.81848 1.00000
F13 F 0.05104 0.30078 0.36777 1.00000
F14 F 0.05104 0.69922 0.36777 1.00000
F15 F 0.94896 0.69922 0.86777 1.00000
F16 F 0.94896 0.30078 0.86777 1.00000
F17 F 0.05889 0.50000 0.11770 1.00000
F18 F 0.94111 0.50000 0.61770 1.00000
F19 F 0.72670 0.50000 0.08672 1.00000
F20 F 0.27330 0.50000 0.58672 1.00000
F21 F 0.89312 0.00000 0.00062 1.00000
F22 F 0.10688 0.00000 0.50062 1.00000
F23 F 0.86270 0.00000 0.28369 1.00000
F24 F 0.13730 0.00000 0.78369 1.00000
F25 F 0.46472 0.00000 0.23273 1.00000
F26 F 0.53528 0.00000 0.73273 1.00000
