SrAgPbCl5
Alexandria ALEXAlex-ID: agm005067904 · 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
ABCD5_28_spg15
AgCl SrCl2 PbCl2
2022-07-12 16:53:22.672443
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005067904).
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 agm005067904
data_agm005067904
_cell_length_a 7.72565
_cell_length_b 7.72565
_cell_length_c 10.08239
_cell_angle_alpha 104.41035
_cell_angle_beta 104.41035
_cell_angle_gamma 107.34374
_cell_volume 521.26988
_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 0.50000 1.00000
Sr2 Sr 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.68243 0.31757 0.25000 1.00000
Ag2 Ag 0.31757 0.68243 0.75000 1.00000
Pb1 Pb 0.36390 0.63610 0.25000 1.00000
Pb2 Pb 0.63610 0.36390 0.75000 1.00000
Cl1 Cl 0.12002 0.87998 0.25000 1.00000
Cl2 Cl 0.87998 0.12002 0.75000 1.00000
Cl3 Cl 0.97953 0.34791 0.17371 1.00000
Cl4 Cl 0.02047 0.65209 0.82629 1.00000
Cl5 Cl 0.65209 0.02047 0.32629 1.00000
Cl6 Cl 0.34791 0.97953 0.67371 1.00000
Cl7 Cl 0.69548 0.62398 0.44515 1.00000
Cl8 Cl 0.30452 0.37602 0.55485 1.00000
Cl9 Cl 0.37602 0.30452 0.05485 1.00000
Cl10 Cl 0.62398 0.69548 0.94515 1.00000
获取直接链接