Sr5TlHg6
Alexandria ALEXAlex-ID: agm006111472 · 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
AB5C6_53_spg71
Sr3TlHg2 SrHg2
2023-09-08 19:07:17.991084
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111472).
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 agm006111472
data_agm006111472
_cell_length_a 5.58425
_cell_length_b 9.73471
_cell_length_c 9.73471
_cell_angle_alpha 119.78981
_cell_angle_beta 106.76791
_cell_angle_gamma 106.76790
_cell_volume 375.69099
_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
Sr1 Sr 0.50000 0.15673 0.84327 1.00000
Sr2 Sr 1.00000 0.32867 0.67133 1.00000
Sr3 Sr 0.50000 0.50000 0.50000 1.00000
Sr4 Sr 0.00000 0.67133 0.32867 1.00000
Sr5 Sr 0.50000 0.84327 0.15673 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.25739 0.08802 0.42580 1.00000
Hg2 Hg 0.74261 0.57420 0.91198 1.00000
Hg3 Hg 0.76078 0.26361 0.26361 1.00000
Hg4 Hg 0.23922 0.73639 0.73639 1.00000
Hg5 Hg 0.25739 0.42580 0.08802 1.00000
Hg6 Hg 0.74261 0.91198 0.57420 1.00000
获取直接链接