Ba7Au4
Alexandria ALEXAlex-ID: agm008264752 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B7_70_spg44
Ba3Au2 Ba2Au
2024-05-10 23:14:58.451304
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008264752).
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 agm008264752
data_agm008264752
_cell_length_a 10.75339
_cell_length_b 10.75339
_cell_length_c 10.75339
_cell_angle_alpha 155.13066
_cell_angle_beta 118.17688
_cell_angle_gamma 67.69950
_cell_volume 456.93631
_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
Ba1 Ba 0.29192 0.18968 0.10223 1.00000
Ba2 Ba 0.86479 0.12793 0.73685 1.00000
Ba3 Ba 0.00802 0.50000 0.50802 1.00000
Ba4 Ba 0.28259 0.38866 0.89393 1.00000
Ba5 Ba 0.50527 0.61134 0.89393 1.00000
Ba6 Ba 0.91255 0.81032 0.10223 1.00000
Ba7 Ba 0.60892 0.87207 0.73685 1.00000
Au1 Au 0.22888 0.00000 0.22888 1.00000
Au2 Au 0.65732 0.50000 0.15732 1.00000
Au3 Au 0.65136 0.25844 0.39293 1.00000
Au4 Au 0.13449 0.74156 0.39293 1.00000
获取直接链接