AgSbCl4
Alexandria ALEXAlex-ID: agm005758912 · 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
ABC4_939_spg15
SbCl3 AgCl
2023-07-27 21:23:31.511699
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758912).
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 agm005758912
data_agm005758912
_cell_length_a 7.04236
_cell_length_b 8.67531
_cell_length_c 8.67531
_cell_angle_alpha 128.66514
_cell_angle_beta 100.68761
_cell_angle_gamma 100.68757
_cell_volume 373.99059
_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
Ag1 Ag 0.25000 0.80396 0.69604 1.00000
Ag2 Ag 0.75000 0.19604 0.30396 1.00000
Sb1 Sb 0.75000 0.92926 0.57074 1.00000
Sb2 Sb 0.25000 0.07074 0.42926 1.00000
Cl1 Cl 0.31117 0.96812 0.10400 1.00000
Cl2 Cl 0.18883 0.39600 0.53188 1.00000
Cl3 Cl 0.33373 0.71158 0.35015 1.00000
Cl4 Cl 0.66627 0.28842 0.64985 1.00000
Cl5 Cl 0.83373 0.85015 0.21158 1.00000
Cl6 Cl 0.81117 0.60400 0.46812 1.00000
Cl7 Cl 0.16627 0.14985 0.78842 1.00000
Cl8 Cl 0.68883 0.03188 0.89600 1.00000
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