Ag3PtAu5
Alexandria ALEXAlex-ID: agm072737752 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1094_spg42
Ag3Pt2 AgAu6 AgAu
2024-09-23 10:41:08.557299
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072737752).
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 agm072737752
data_agm072737752
_cell_length_a 5.01754
_cell_length_b 5.04062
_cell_length_c 7.41002
_cell_angle_alpha 96.43717
_cell_angle_beta 96.28331
_cell_angle_gamma 119.51870
_cell_volume 159.08955
_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 0.73909 0.54362 0.35195 1.00000
Ag2 Ag 0.52534 0.32222 0.68518 1.00000
Ag3 Ag 0.30667 0.10241 0.02147 1.00000
Pt1 Pt 0.06910 0.20991 0.35379 1.00000
Au1 Au 0.40527 0.87588 0.35369 1.00000
Au2 Au 0.86259 0.99057 0.68331 1.00000
Au3 Au 0.97959 0.43521 0.02142 1.00000
Au4 Au 0.64825 0.77726 0.01988 1.00000
Au5 Au 0.19266 0.65155 0.68509 1.00000
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