In6Sn5Pb
Alexandria ALEXAlex-ID: agm006089008 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_50_spg71
In Sn Pb
2023-08-29 00:09:22.025383
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089008).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006089008
data_agm006089008
_cell_length_a 4.91977
_cell_length_b 9.37589
_cell_length_c 8.96942
_cell_angle_alpha 121.49358
_cell_angle_beta 106.15544
_cell_angle_gamma 90.01220
_cell_volume 333.46448
_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
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.66978 0.16979 0.33970 1.00000
Sn2 Sn 0.33371 0.33362 0.66725 1.00000
Sn3 Sn 0.00000 0.50000 0.00000 1.00000
Sn4 Sn 0.66629 0.66638 0.33275 1.00000
Sn5 Sn 0.33022 0.83021 0.66030 1.00000
In1 In 0.83207 0.58003 0.66427 1.00000
In2 In 0.83201 0.08426 0.66437 1.00000
In3 In 0.50006 0.74558 0.99995 1.00000
In4 In 0.49994 0.25442 0.00005 1.00000
In5 In 0.16799 0.91574 0.33563 1.00000
In6 In 0.16793 0.41997 0.33573 1.00000
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