Na6Sn2Hg
Alexandria ALEXAlex-ID: agm005606772 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_102_spg166
Na5Sn2 NaHg
2023-07-08 19:27:33.390256
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606772).
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 agm005606772
data_agm005606772
_cell_length_a 5.50631
_cell_length_b 5.50631
_cell_length_c 10.73136
_cell_angle_alpha 75.13445
_cell_angle_beta 75.13445
_cell_angle_gamma 60.00005
_cell_volume 269.13005
_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
Na1 Na 0.57671 0.57671 0.26987 1.00000
Na2 Na 0.80649 0.80649 0.58054 1.00000
Na3 Na 0.70224 0.70224 0.89329 1.00000
Na4 Na 0.19351 0.19351 0.41946 1.00000
Na5 Na 0.42329 0.42329 0.73013 1.00000
Na6 Na 0.29776 0.29776 0.10671 1.00000
Sn1 Sn 0.90973 0.90973 0.27082 1.00000
Sn2 Sn 0.09027 0.09027 0.72918 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
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