RbPu2O6
Alexandria ALEXAlex-ID: agm097448773 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1399_spg139
Rb2Pu2O7 Pu2O5
2025-04-07 05:48:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097448773).
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
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# CIF generated by HEAS from Alexandria entry agm097448773
data_agm097448773
_cell_length_a 3.42682
_cell_length_b 4.17476
_cell_length_c 10.78561
_cell_angle_alpha 101.00285
_cell_angle_beta 94.82332
_cell_angle_gamma 90.00456
_cell_volume 150.90759
_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 0.65004 0.61071 0.13796 1.00000
Pu1 Pu 0.79069 0.96489 0.84295 1.00000
Pu2 Pu 0.18278 0.25766 0.43548 1.00000
O1 O 0.26534 0.02861 0.97188 1.00000
O2 O 0.76164 0.31482 0.55062 1.00000
O3 O 0.16231 0.74627 0.41232 1.00000
O4 O 0.78143 0.47380 0.86102 1.00000
O5 O 0.59692 0.19545 0.30947 1.00000
O6 O 0.30885 0.90778 0.72829 1.00000
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