K3Bi8Au3
Alexandria ALEXAlex-ID: agm003376728 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_0_spg71
K(BiAu)2 Bi2Au KBi2
2022-02-08 23:58:38.797223
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003376728).
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 agm003376728
data_agm003376728
_cell_length_a 5.19063
_cell_length_b 9.97866
_cell_length_c 9.97866
_cell_angle_alpha 73.49053
_cell_angle_beta 74.92482
_cell_angle_gamma 74.92482
_cell_volume 468.71242
_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
K1 K 0.50000 0.50000 0.50000 1.00000
K2 K 0.83826 0.16174 0.16174 1.00000
K3 K 0.16174 0.83826 0.83826 1.00000
Bi1 Bi 0.61118 0.10045 0.67718 1.00000
Bi2 Bi 0.38882 0.89955 0.32282 1.00000
Bi3 Bi 0.61118 0.67718 0.10045 1.00000
Bi4 Bi 0.38882 0.32282 0.89955 1.00000
Bi5 Bi 0.82493 0.80708 0.54305 1.00000
Bi6 Bi 0.17507 0.19292 0.45695 1.00000
Bi7 Bi 0.82493 0.54305 0.80708 1.00000
Bi8 Bi 0.17507 0.45695 0.19292 1.00000
Au1 Au 0.50000 0.00000 0.00000 1.00000
Au2 Au 0.00000 0.75515 0.24485 1.00000
Au3 Au 0.00000 0.24485 0.75515 1.00000
获取直接链接