Sr2Hg4Bi2Pb
Alexandria ALEXAlex-ID: agm004568697 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D4_166_spg139
Sr2Bi3 Sr3(Hg2Bi)2 Pb Hg
2022-06-19 20:57:50.968761
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004568697).
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 agm004568697
data_agm004568697
_cell_length_a 7.70056
_cell_length_b 7.70056
_cell_length_c 7.70056
_cell_angle_alpha 82.53047
_cell_angle_beta 124.40225
_cell_angle_gamma 124.40225
_cell_volume 298.61476
_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
Sr1 Sr 0.50000 0.75000 0.25000 1.00000
Sr2 Sr 0.50000 0.25000 0.75000 1.00000
Hg1 Hg 0.00000 0.70942 0.29058 1.00000
Hg2 Hg 0.41884 0.70942 0.70942 1.00000
Hg3 Hg 0.00000 0.29058 0.70942 1.00000
Hg4 Hg 0.58116 0.29058 0.29058 1.00000
Bi1 Bi 0.00000 0.72689 0.72689 1.00000
Bi2 Bi 1.00000 0.27311 0.27311 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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