Bi(AuF4)2
Alexandria ALEXAlex-ID: agm005997233 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_139_spg164
Bi(AuF4)3 Au BiF3
2023-10-14 18:15:15.929492
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997233).
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 agm005997233
data_agm005997233
_cell_length_a 4.25707
_cell_length_b 7.15557
_cell_length_c 7.15251
_cell_angle_alpha 120.02930
_cell_angle_beta 89.98989
_cell_angle_gamma 90.00426
_cell_volume 188.63230
_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
Au1 Au 0.26135 0.33339 0.66690 1.00000
Au2 Au 0.73865 0.66661 0.33308 1.00000
Bi1 Bi 0.00000 0.00000 0.99999 1.00000
F1 F 0.23957 0.66661 0.33311 1.00000
F2 F 0.76043 0.33339 0.66686 1.00000
F3 F 0.74252 0.84551 0.15267 1.00000
F4 F 0.25751 0.15266 0.30721 1.00000
F5 F 0.25750 0.69282 0.84529 1.00000
F6 F 0.25748 0.15450 0.84731 1.00000
F7 F 0.74249 0.84733 0.69277 1.00000
F8 F 0.74250 0.30718 0.15471 1.00000
获取直接链接