Rb2LiPu(Cl2O)2
Alexandria ALEXAlex-ID: agm005222616 · 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
ABC2D2E4_29_spg1
Rb7Pu3(Cl2O)6 LiCl RbCl PuO2
2023-04-21 12:21:01.352093
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005222616).
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 agm005222616
data_agm005222616
_cell_length_a 7.47916
_cell_length_b 6.73569
_cell_length_c 6.39301
_cell_angle_alpha 77.20377
_cell_angle_beta 85.84265
_cell_angle_gamma 58.75942
_cell_volume 268.17625
_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 0.10356 0.19768 0.27024 1.00000
Rb2 Rb 0.88333 0.79052 0.74410 1.00000
Li1 Li 0.56407 0.24979 0.10758 1.00000
Pu1 Pu 0.49813 0.51137 0.50708 1.00000
Cl1 Cl 0.23331 0.60962 0.17887 1.00000
Cl2 Cl 0.37348 0.23491 0.78720 1.00000
Cl3 Cl 0.78765 0.33056 0.85443 1.00000
Cl4 Cl 0.65233 0.79412 0.28304 1.00000
O1 O 0.29647 0.76742 0.60622 1.00000
O2 O 0.69100 0.25475 0.39272 1.00000
获取直接链接