Sr(Tl2Hg3)2
Alexandria ALEXAlex-ID: agm003662386 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_183_spg121
Tl4Hg3 SrHg3
2022-04-08 13:36:44.263389
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003662386).
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
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# CIF generated by HEAS from Alexandria entry agm003662386
data_agm003662386
_cell_length_a 8.01170
_cell_length_b 8.01170
_cell_length_c 8.01170
_cell_angle_alpha 94.12978
_cell_angle_beta 117.64501
_cell_angle_gamma 117.64501
_cell_volume 375.51797
_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 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 1.00000 0.24351 0.61894 1.00000
Tl2 Tl 0.62457 0.38106 0.38106 1.00000
Tl3 Tl 1.00000 0.61894 0.24351 1.00000
Tl4 Tl 0.37543 0.75649 0.75649 1.00000
Hg1 Hg 1.00000 0.86642 0.58301 1.00000
Hg2 Hg 1.00000 0.58301 0.86642 1.00000
Hg3 Hg 0.71659 0.13358 0.13358 1.00000
Hg4 Hg 0.50000 0.00000 0.50000 1.00000
Hg5 Hg 0.28341 0.41699 0.41699 1.00000
Hg6 Hg 0.50000 0.50000 0.00000 1.00000
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