Sr5Hg2Bi5
Alexandria ALEXAlex-ID: agm005653002 · 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
A2B5C5_18_spg12
Sr3(Hg2Bi)2 Sr2Bi3 Sr11Bi10
2023-06-19 07:46:35.974224
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653002).
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 agm005653002
data_agm005653002
_cell_length_a 4.96853
_cell_length_b 9.24495
_cell_length_c 9.99475
_cell_angle_alpha 92.32482
_cell_angle_beta 75.60786
_cell_angle_gamma 74.41214
_cell_volume 425.48782
_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 0.00000 0.50000 0.50000 1.00000
Sr2 Sr 0.69827 0.69596 0.90750 1.00000
Sr3 Sr 0.37016 0.93931 0.32037 1.00000
Sr4 Sr 0.62984 0.06069 0.67963 1.00000
Sr5 Sr 0.30173 0.30404 0.09250 1.00000
Hg1 Hg 0.43784 0.42932 0.69501 1.00000
Hg2 Hg 0.56216 0.57068 0.30499 1.00000
Bi1 Bi 0.71839 0.21713 0.34609 1.00000
Bi2 Bi 0.92898 0.30444 0.83761 1.00000
Bi3 Bi 0.07102 0.69556 0.16239 1.00000
Bi4 Bi 0.28161 0.78287 0.65391 1.00000
Bi5 Bi 0.00000 0.00000 0.00000 1.00000
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