Ag8S4Cl
Alexandria ALEXAlex-ID: agm097429619 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_920_spg1
AgS2 Ag2S AgCl
2025-06-19 08:40:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097429619).
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}
}
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# CIF generated by HEAS from Alexandria entry agm097429619
data_agm097429619
_cell_length_a 5.03577
_cell_length_b 7.73373
_cell_length_c 7.77802
_cell_angle_alpha 110.74340
_cell_angle_beta 98.24983
_cell_angle_gamma 96.15576
_cell_volume 276.23130
_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 0.91910 0.05204 0.68111 1.00000
Ag2 Ag 0.92865 0.65434 0.93806 1.00000
Ag3 Ag 0.57694 0.68426 0.36556 1.00000
Ag4 Ag 0.79382 0.37455 0.52815 1.00000
Ag5 Ag 0.17121 0.72314 0.62855 1.00000
Ag6 Ag 0.36204 0.41434 0.75237 1.00000
Ag7 Ag 0.14654 0.35427 0.05564 1.00000
Ag8 Ag 0.19436 0.94480 0.34181 1.00000
S1 S 0.12559 0.96548 0.94247 1.00000
S2 S 0.66872 0.43928 0.04254 1.00000
S3 S 0.29011 0.42784 0.42885 1.00000
S4 S 0.71162 0.00849 0.36785 1.00000
Cl1 Cl 0.61131 0.95718 0.92705 1.00000
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