Sr3Hg2Au7
Alexandria ALEXAlex-ID: agm024889657 · 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
A2B3C7_3_spg166
SrAu5 SrAu2 Hg
2025-05-17 13:48:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024889657).
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 agm024889657
data_agm024889657
_cell_length_a 5.89608
_cell_length_b 5.79234
_cell_length_c 10.12570
_cell_angle_alpha 73.43754
_cell_angle_beta 73.02066
_cell_angle_gamma 60.68900
_cell_volume 284.18021
_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
Sr2 Sr 0.14494 0.14026 0.57572 1.00000
Sr3 Sr 0.85506 0.85974 0.42428 1.00000
Hg1 Hg 0.34223 0.33147 0.00184 1.00000
Hg2 Hg 0.65777 0.66853 0.99816 1.00000
Au1 Au 0.50000 0.50000 0.50000 1.00000
Au2 Au 0.59518 0.58903 0.73582 1.00000
Au3 Au 0.59322 0.08306 0.73976 1.00000
Au4 Au 0.08581 0.58421 0.74779 1.00000
Au5 Au 0.40482 0.41097 0.26418 1.00000
Au6 Au 0.91419 0.41579 0.25221 1.00000
Au7 Au 0.40678 0.91694 0.26024 1.00000
获取直接链接