SnBi2PbAu4
Alexandria ALEXAlex-ID: agm004850737 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_581_spg69
BiPbAu2 SnBi2Au3 Sn2BiAu3
2023-01-29 12:16:52.798020
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004850737).
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}
}
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# CIF generated by HEAS from Alexandria entry agm004850737
data_agm004850737
_cell_length_a 5.95207
_cell_length_b 5.95207
_cell_length_c 7.01353
_cell_angle_alpha 110.32944
_cell_angle_beta 110.32944
_cell_angle_gamma 100.44267
_cell_volume 205.19366
_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 0.93774 0.93774 1.00000 1.00000
Bi1 Bi 0.18688 0.68688 0.50000 1.00000
Bi2 Bi 0.68688 0.18688 0.50000 1.00000
Pb1 Pb 0.43721 0.43721 0.00000 1.00000
Au1 Au 0.93731 0.43770 1.00000 1.00000
Au2 Au 0.43770 0.93731 1.00000 1.00000
Au3 Au 0.18024 0.18024 0.48686 1.00000
Au4 Au 0.69338 0.69338 0.51314 1.00000
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