SrAg2Hg
Alexandria ALEXAlex-ID: agm005679847 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_1087_spg15
SrAg5 SrHg2 SrAgHg
2023-07-13 14:09:01.988456
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679847).
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 agm005679847
data_agm005679847
_cell_length_a 5.65295
_cell_length_b 5.65297
_cell_length_c 7.63704
_cell_angle_alpha 99.05330
_cell_angle_beta 111.72182
_cell_angle_gamma 64.83899
_cell_volume 205.20751
_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 0.11832 0.25000 0.73663 1.00000
Sr2 Sr 0.88168 0.75000 0.26337 1.00000
Ag1 Ag 0.73389 0.90085 0.66149 1.00000
Ag2 Ag 0.42760 0.59915 0.66149 1.00000
Ag3 Ag 0.26611 0.09915 0.33851 1.00000
Ag4 Ag 0.57240 0.40085 0.33851 1.00000
Hg1 Hg 0.75281 0.25000 0.00562 1.00000
Hg2 Hg 0.24719 0.75000 0.99438 1.00000
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