Rb3Na5Hg2
Alexandria ALEXAlex-ID: agm005609486 · 空间群: P4/mbm (#127)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_3_spg127
RbNaHg Na8Hg3 Rb
2023-06-24 21:58:00.378502
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609486).
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 agm005609486
data_agm005609486
_cell_length_a 5.00812
_cell_length_b 13.34792
_cell_length_c 13.34792
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 892.28100
_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 0.00000 0.32619 0.82619 1.00000
Rb2 Rb 0.00000 0.67381 0.17381 1.00000
Rb3 Rb 0.00000 0.17381 0.32619 1.00000
Rb4 Rb 0.00000 0.82619 0.67381 1.00000
Rb5 Rb 0.00000 0.00000 0.00000 1.00000
Rb6 Rb 0.00000 0.50000 0.50000 1.00000
Na1 Na 0.50000 0.23750 0.07400 1.00000
Na2 Na 0.50000 0.76250 0.92600 1.00000
Na3 Na 0.50000 0.92600 0.23750 1.00000
Na4 Na 0.50000 0.07400 0.76250 1.00000
Na5 Na 0.50000 0.26250 0.57400 1.00000
Na6 Na 0.50000 0.73750 0.42600 1.00000
Na7 Na 0.50000 0.57400 0.73750 1.00000
Na8 Na 0.50000 0.42600 0.26250 1.00000
Na9 Na 0.50000 0.00000 0.50000 1.00000
Na10 Na 0.50000 0.50000 0.00000 1.00000
Hg1 Hg 0.00000 0.11739 0.61739 1.00000
Hg2 Hg 0.00000 0.88261 0.38261 1.00000
Hg3 Hg 0.00000 0.38261 0.11739 1.00000
Hg4 Hg 0.00000 0.61739 0.88261 1.00000
