Ag2Pt4Au5
Alexandria ALEXAlex-ID: agm005668963 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_652_spg2
Ag3Pt2 AgAu6 Pt
2023-06-21 10:23:45.168077
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668963).
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 agm005668963
data_agm005668963
_cell_length_a 6.47634
_cell_length_b 4.94505
_cell_length_c 8.65492
_cell_angle_alpha 61.44432
_cell_angle_beta 73.47390
_cell_angle_gamma 50.36877
_cell_volume 187.42112
_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 0.09325 0.26728 0.68300 1.00000
Ag2 Ag 0.90675 0.73272 0.31700 1.00000
Pt1 Pt 0.45843 0.35669 0.41443 1.00000
Pt2 Pt 0.54157 0.64331 0.58557 1.00000
Pt3 Pt 0.63523 0.91981 0.76051 1.00000
Pt4 Pt 0.36477 0.08019 0.23949 1.00000
Au1 Au 0.72177 0.19555 0.94499 1.00000
Au2 Au 0.27823 0.80445 0.05501 1.00000
Au3 Au 0.00000 0.00000 0.50000 1.00000
Au4 Au 0.18487 0.53343 0.86882 1.00000
Au5 Au 0.81513 0.46657 0.13118 1.00000
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