Sn2Pb5
Alexandria ALEXAlex-ID: agm009484184 · 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
A2B5_4_spg12
Pb Sn
2025-05-29 13:03:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009484184).
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 agm009484184
data_agm009484184
_cell_length_a 6.36601
_cell_length_b 6.36601
_cell_length_c 7.79959
_cell_angle_alpha 84.27764
_cell_angle_beta 95.72236
_cell_angle_gamma 137.05954
_cell_volume 214.09066
_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
Sn1 Sn 0.21660 0.78340 0.13214 1.00000
Sn2 Sn 0.78340 0.21660 0.86786 1.00000
Pb1 Pb 0.07723 0.92277 0.71448 1.00000
Pb2 Pb 0.92277 0.07723 0.28552 1.00000
Pb3 Pb 0.50000 0.50000 0.00000 1.00000
Pb4 Pb 0.35411 0.64589 0.58293 1.00000
Pb5 Pb 0.64589 0.35411 0.41707 1.00000
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