Tl2AuF6
Alexandria ALEXAlex-ID: agm005752341 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_381_spg164
TlF3 Au
2023-07-07 02:39:04.828042
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752341).
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 agm005752341
data_agm005752341
_cell_length_a 6.26642
_cell_length_b 6.02495
_cell_length_c 4.75311
_cell_angle_alpha 89.82094
_cell_angle_beta 90.12936
_cell_angle_gamma 118.74077
_cell_volume 157.34426
_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
Tl1 Tl 0.64657 0.32409 0.29612 1.00000
Tl2 Tl 0.35343 0.67591 0.70388 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
F1 F 0.84852 0.16241 0.76855 1.00000
F2 F 0.85210 0.68677 0.76941 1.00000
F3 F 0.35905 0.18293 0.77844 1.00000
F4 F 0.15148 0.83759 0.23145 1.00000
F5 F 0.14790 0.31323 0.23059 1.00000
F6 F 0.64095 0.81707 0.22156 1.00000
获取直接链接