In10(SnHg)3
Alexandria ALEXAlex-ID: agm005669142 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C10_28_spg1
In Sn Hg
2023-06-20 02:48:21.527920
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669142).
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 agm005669142
data_agm005669142
_cell_length_a 6.67823
_cell_length_b 9.14196
_cell_length_c 8.16060
_cell_angle_alpha 115.54272
_cell_angle_beta 80.31881
_cell_angle_gamma 87.32806
_cell_volume 439.13304
_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 0.06095 0.72655 0.40472 1.00000
In2 In 0.24942 0.25125 0.61100 1.00000
In3 In 0.84100 0.46607 0.60164 1.00000
In4 In 0.67254 0.54257 0.28897 1.00000
In5 In 0.44137 0.02105 0.87694 1.00000
In6 In 0.57410 0.74772 0.03051 1.00000
In7 In 0.66637 0.15268 0.26126 1.00000
In8 In 0.12819 0.98247 0.20656 1.00000
In9 In 0.99054 0.24822 0.97959 1.00000
In10 In 0.92762 0.87799 0.83353 1.00000
Sn1 Sn 0.80557 0.09848 0.59626 1.00000
Sn2 Sn 0.05360 0.60074 0.97702 1.00000
Sn3 Sn 0.26324 0.35658 0.28395 1.00000
Hg1 Hg 0.45281 0.89464 0.45451 1.00000
Hg2 Hg 0.50275 0.39213 0.92295 1.00000
Hg3 Hg 0.36995 0.64086 0.67060 1.00000
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