RbPuF6
Alexandria ALEXAlex-ID: agm087969986 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_174_spg67
RbPuF6
2025-04-09 05:47:41.144937
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm087969986).
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 agm087969986
data_agm087969986
_cell_length_a 5.57792
_cell_length_b 7.81312
_cell_length_c 7.69885
_cell_angle_alpha 97.57088
_cell_angle_beta 89.43077
_cell_angle_gamma 89.69520
_cell_volume 332.57458
_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 0.80702 0.99411 0.04573 1.00000
Rb2 Rb 0.82392 0.49083 0.54097 1.00000
Pu1 Pu 0.30978 0.00083 0.54995 1.00000
Pu2 Pu 0.31473 0.50071 0.04955 1.00000
F1 F 0.10511 0.77976 0.50314 1.00000
F2 F 0.09567 0.07512 0.76835 1.00000
F3 F 0.00979 0.39904 0.15261 1.00000
F4 F 0.16330 0.74574 0.08917 1.00000
F5 F 0.54392 0.87494 0.69946 1.00000
F6 F 0.51374 0.22220 0.59708 1.00000
F7 F 0.46627 0.25578 0.01039 1.00000
F8 F 0.45902 0.53094 0.29857 1.00000
F9 F 0.07499 0.12782 0.40106 1.00000
F10 F 0.16879 0.47083 0.80137 1.00000
F11 F 0.52436 0.92809 0.33160 1.00000
F12 F 0.61960 0.60327 0.94758 1.00000
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