Rb2Sn6Hg
Alexandria ALEXAlex-ID: agm005665279 · 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
AB2C6_825_spg12
RbSn RbHg2 Rb4Sn21Hg2
2023-07-09 06:22:46.312108
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665279).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005665279
data_agm005665279
_cell_length_a 6.65503
_cell_length_b 7.25102
_cell_length_c 7.56567
_cell_angle_alpha 73.54911
_cell_angle_beta 90.00000
_cell_angle_gamma 117.31635
_cell_volume 307.45640
_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 0.64644 0.29289 0.12877 1.00000
Rb2 Rb 0.35356 0.70711 0.87123 1.00000
Sn1 Sn 0.87859 0.28151 0.65682 1.00000
Sn2 Sn 0.88738 0.77476 0.64861 1.00000
Sn3 Sn 0.40292 0.28151 0.65682 1.00000
Sn4 Sn 0.12141 0.71849 0.34318 1.00000
Sn5 Sn 0.11262 0.22524 0.35139 1.00000
Sn6 Sn 0.59708 0.71849 0.34318 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
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