Os4Au5
Alexandria ALEXAlex-ID: agm005504111 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B5_52_spg139
Au Os
2023-03-20 08:29:17.131224
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005504111).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005504111
data_agm005504111
_cell_length_a 6.45586
_cell_length_b 6.45586
_cell_length_c 6.45586
_cell_angle_alpha 95.29444
_cell_angle_beta 95.29444
_cell_angle_gamma 144.63208
_cell_volume 148.38391
_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
Os1 Os 0.00000 0.35362 0.35362 1.00000
Os2 Os 0.00000 0.64638 0.64638 1.00000
Os3 Os 0.35362 0.00000 0.35362 1.00000
Os4 Os 0.64638 0.00000 0.64638 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
Au2 Au 0.33049 0.33049 0.66097 1.00000
Au3 Au 0.33049 0.66951 0.00000 1.00000
Au4 Au 0.66951 0.33049 0.00000 1.00000
Au5 Au 0.66951 0.66951 0.33903 1.00000
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