Tl2Cd6Hg
Alexandria ALEXAlex-ID: agm005668489 · 空间群: P6/mmm (#191)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_735_spg191
Tl5Cd2 Tl4Cd3Hg4 Cd
2023-07-06 16:01:06.280315
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668489).
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 agm005668489
data_agm005668489
_cell_length_a 3.29354
_cell_length_b 9.05756
_cell_length_c 9.05757
_cell_angle_alpha 59.99955
_cell_angle_beta 89.94049
_cell_angle_gamma 89.94030
_cell_volume 233.99919
_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 0.00001 0.33329 0.33329 1.00000
Tl2 Tl 0.99999 0.66671 0.66671 1.00000
Cd1 Cd 0.49613 0.67036 0.00003 1.00000
Cd2 Cd 0.50387 0.99997 0.32964 1.00000
Cd3 Cd 0.50387 0.32964 0.99997 1.00000
Cd4 Cd 0.50000 0.67027 0.32973 1.00000
Cd5 Cd 0.49613 0.00003 0.67036 1.00000
Cd6 Cd 0.50000 0.32973 0.67027 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
