Y8CuAu6
Alexandria ALEXAlex-ID: agm072180240 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_0_spg148
Y2Au YCu YAu
2024-10-06 00:16:54.042961
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072180240).
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 agm072180240
data_agm072180240
_cell_length_a 7.74922
_cell_length_b 7.74922
_cell_length_c 7.74922
_cell_angle_alpha 69.72481
_cell_angle_beta 69.72481
_cell_angle_gamma 69.72481
_cell_volume 395.67189
_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
Y1 Y 0.32953 0.32953 0.32953 1.00000
Y2 Y 0.67047 0.67047 0.67047 1.00000
Y3 Y 0.82638 0.10808 0.35695 1.00000
Y4 Y 0.35695 0.82638 0.10808 1.00000
Y5 Y 0.10808 0.35695 0.82638 1.00000
Y6 Y 0.17362 0.89192 0.64305 1.00000
Y7 Y 0.64305 0.17362 0.89192 1.00000
Y8 Y 0.89192 0.64305 0.17362 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.06441 0.68415 0.45862 1.00000
Au2 Au 0.45862 0.06441 0.68415 1.00000
Au3 Au 0.68415 0.45862 0.06441 1.00000
Au4 Au 0.93559 0.31585 0.54138 1.00000
Au5 Au 0.54138 0.93559 0.31585 1.00000
Au6 Au 0.31585 0.54138 0.93559 1.00000
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