Rb5(NaHg2)2
Alexandria ALEXAlex-ID: agm005668561 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_1019_spg12
Rb2Hg RbNaHg RbHg
2023-06-22 05:29:52.062445
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668561).
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 agm005668561
data_agm005668561
_cell_length_a 5.42379
_cell_length_b 9.47651
_cell_length_c 10.56780
_cell_angle_alpha 81.80106
_cell_angle_beta 104.86953
_cell_angle_gamma 90.00000
_cell_volume 519.23421
_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 0.81365 0.60678 0.62729 1.00000
Rb2 Rb 0.18635 0.39322 0.37271 1.00000
Rb3 Rb 0.83326 0.09977 0.66653 1.00000
Rb4 Rb 0.50000 0.00000 0.00000 1.00000
Rb5 Rb 0.16674 0.90023 0.33347 1.00000
Na1 Na 0.55497 0.35905 0.10994 1.00000
Na2 Na 0.44503 0.64095 0.89006 1.00000
Hg1 Hg 0.38344 0.34200 0.76688 1.00000
Hg2 Hg 0.02816 0.65577 0.05632 1.00000
Hg3 Hg 0.61656 0.65800 0.23312 1.00000
Hg4 Hg 0.97184 0.34423 0.94368 1.00000
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