Ag8PdAu3
Alexandria ALEXAlex-ID: agm005997992 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_256_spg10
Ag2PdAu Ag12PdAu5 Ag
2023-09-14 09:02:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997992).
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 agm005997992
data_agm005997992
_cell_length_a 8.82155
_cell_length_b 5.08451
_cell_length_c 5.81551
_cell_angle_alpha 89.99869
_cell_angle_beta 89.99857
_cell_angle_gamma 125.69093
_cell_volume 211.85166
_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
Ag1 Ag 0.33084 0.16528 0.74809 1.00000
Ag2 Ag 0.66918 0.83474 0.74809 1.00000
Ag3 Ag 0.00001 0.50001 0.74816 1.00000
Ag4 Ag 0.66916 0.83472 0.25191 1.00000
Ag5 Ag 0.33082 0.16526 0.25191 1.00000
Ag6 Ag 0.99999 0.49999 0.25184 1.00000
Ag7 Ag 0.33163 0.66286 0.50001 1.00000
Ag8 Ag 0.66837 0.33714 0.49999 1.00000
Pd1 Pd 0.00000 0.00000 0.50000 1.00000
Au1 Au 0.33509 0.66877 0.00001 1.00000
Au2 Au 0.66491 0.33123 0.99999 1.00000
Au3 Au 0.00000 0.00000 0.00000 1.00000
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