Ag5Pt2Au5
Alexandria ALEXAlex-ID: agm005644031 · 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
A2B5C5_18_spg12
Ag3Pt2 AgAu6 AgAu
2023-06-18 20:27:07.552357
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644031).
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 agm005644031
data_agm005644031
_cell_length_a 4.17978
_cell_length_b 6.46391
_cell_length_c 8.72886
_cell_angle_alpha 71.93315
_cell_angle_beta 76.14751
_cell_angle_gamma 71.13636
_cell_volume 209.61082
_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 0.50000 0.50000 0.50000 1.00000
Ag2 Ag 0.33245 0.33532 0.99979 1.00000
Ag3 Ag 0.41813 0.91380 0.24994 1.00000
Ag4 Ag 0.58187 0.08620 0.75006 1.00000
Ag5 Ag 0.66755 0.66468 0.00021 1.00000
Pt1 Pt 0.91615 0.41544 0.75225 1.00000
Pt2 Pt 0.08385 0.58456 0.24775 1.00000
Au1 Au 0.83666 0.82740 0.49928 1.00000
Au2 Au 0.25255 0.74616 0.74875 1.00000
Au3 Au 0.74745 0.25384 0.25125 1.00000
Au4 Au 0.16334 0.17260 0.50072 1.00000
Au5 Au 0.00000 0.00000 0.00000 1.00000
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