Na2AgHg6
Alexandria ALEXAlex-ID: agm005669778 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_636_spg71
NaHg3 Ag
2023-07-08 19:29:21.790873
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669778).
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 agm005669778
data_agm005669778
_cell_length_a 3.23186
_cell_length_b 9.22137
_cell_length_c 9.22137
_cell_angle_alpha 55.32732
_cell_angle_beta 79.90753
_cell_angle_gamma 79.90753
_cell_volume 221.54533
_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 0.35350 0.14650 0.14650 1.00000
Na2 Na 0.64650 0.85350 0.85350 1.00000
Ag1 Ag 0.50000 0.50000 0.50000 1.00000
Hg1 Hg 0.17184 0.49956 0.15677 1.00000
Hg2 Hg 0.82816 0.50044 0.84323 1.00000
Hg3 Hg 0.82816 0.84323 0.50044 1.00000
Hg4 Hg 0.00000 0.18786 0.81214 1.00000
Hg5 Hg 1.00000 0.81214 0.18786 1.00000
Hg6 Hg 0.17184 0.15677 0.49956 1.00000
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