Hg6BiH2
Alexandria ALEXAlex-ID: agm005772286 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_2462_spg2
Hg Bi HgH4
2023-07-07 11:11:10.603966
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772286).
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 agm005772286
data_agm005772286
_cell_length_a 5.52223
_cell_length_b 13.25330
_cell_length_c 10.45671
_cell_angle_alpha 117.14696
_cell_angle_beta 106.29043
_cell_angle_gamma 21.27141
_cell_volume 220.85381
_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
Hg1 Hg 0.77321 0.49512 0.33937 1.00000
Hg2 Hg 0.26323 0.28900 0.75136 1.00000
Hg3 Hg 0.22679 0.50488 0.66063 1.00000
Hg4 Hg 0.12606 0.15195 0.85989 1.00000
Hg5 Hg 0.73677 0.71100 0.24864 1.00000
Hg6 Hg 0.87394 0.84805 0.14011 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
H1 H 0.01275 0.88478 0.54449 1.00000
H2 H 0.98725 0.11522 0.45551 1.00000
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