In2(SnHg)5
Alexandria ALEXAlex-ID: agm005662487 · 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_89_spg12
In Sn Hg
2023-06-19 01:45:12.672866
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662487).
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 agm005662487
data_agm005662487
_cell_length_a 3.51261
_cell_length_b 7.05422
_cell_length_c 14.07674
_cell_angle_alpha 76.71569
_cell_angle_beta 82.83269
_cell_angle_gamma 75.58354
_cell_volume 327.93590
_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
In1 In 0.17192 0.84251 0.81365 1.00000
In2 In 0.82808 0.15749 0.18635 1.00000
Sn1 Sn 0.00000 0.50000 0.50000 1.00000
Sn2 Sn 0.65945 0.61569 0.06542 1.00000
Sn3 Sn 0.40882 0.83841 0.34394 1.00000
Sn4 Sn 0.59118 0.16159 0.65606 1.00000
Sn5 Sn 0.34055 0.38431 0.93458 1.00000
Hg1 Hg 0.70316 0.17524 0.41845 1.00000
Hg2 Hg 0.89063 0.47775 0.74100 1.00000
Hg3 Hg 0.10937 0.52225 0.25900 1.00000
Hg4 Hg 0.29684 0.82476 0.58155 1.00000
Hg5 Hg 0.00000 0.00000 0.00000 1.00000
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