BaSn2PbAu5
Alexandria ALEXAlex-ID: agm005170610 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_196_spg123
BaAu5 SnPbAu2 Ba(SnAu)2 PbAu
2023-01-19 13:50:56.009408
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005170610).
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 agm005170610
data_agm005170610
_cell_length_a 5.35085
_cell_length_b 5.35085
_cell_length_c 8.91195
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 255.16299
_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
Ba1 Ba 0.00000 0.00000 0.50000 1.00000
Sn1 Sn 0.50000 0.50000 0.20166 1.00000
Sn2 Sn 0.50000 0.50000 0.79834 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.00000 0.50000 0.17687 1.00000
Au2 Au 0.50000 0.00000 0.17687 1.00000
Au3 Au 0.00000 0.50000 0.82313 1.00000
Au4 Au 0.50000 0.00000 0.82313 1.00000
Au5 Au 0.50000 0.50000 0.50000 1.00000
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