Ag(S3F)2
Alexandria ALEXAlex-ID: agm005672799 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_2234_spg2
AgS2 SF4 AgS9
2023-07-07 02:59:14.923616
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672799).
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 agm005672799
data_agm005672799
_cell_length_a 4.26438
_cell_length_b 7.32496
_cell_length_c 7.12557
_cell_angle_alpha 109.54835
_cell_angle_beta 100.98005
_cell_angle_gamma 74.26794
_cell_volume 200.66637
_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 0.00000 0.00000 0.00000 1.00000
S1 S 0.80652 0.52238 0.23227 1.00000
S2 S 0.19348 0.47762 0.76773 1.00000
S3 S 0.82840 0.71738 0.71005 1.00000
S4 S 0.03553 0.24900 0.54203 1.00000
S5 S 0.96447 0.75100 0.45797 1.00000
S6 S 0.17160 0.28262 0.28995 1.00000
F1 F 0.44124 0.81057 0.06505 1.00000
F2 F 0.55876 0.18943 0.93495 1.00000
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