Ag2PbS9
Alexandria ALEXAlex-ID: agm102064166 · 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
AB2C9_688_spg1
AgS9 PbS AgS2
2025-05-24 00:50:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm102064166).
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 agm102064166
data_agm102064166
_cell_length_a 4.81171
_cell_length_b 9.83177
_cell_length_c 9.14143
_cell_angle_alpha 132.02731
_cell_angle_beta 95.38200
_cell_angle_gamma 89.32187
_cell_volume 319.06591
_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 0.90652 0.33303 0.69456 1.00000
Ag2 Ag 0.82379 0.72766 0.30980 1.00000
Pb1 Pb 0.87169 0.86969 0.88481 1.00000
S1 S 0.40244 0.02561 0.85614 1.00000
S2 S 0.12636 0.03325 0.50725 1.00000
S3 S 0.89646 0.60609 0.48127 1.00000
S4 S 0.78057 0.20900 0.35124 1.00000
S5 S 0.41376 0.69582 0.06941 1.00000
S6 S 0.58841 0.40458 0.37633 1.00000
S7 S 0.48063 0.02956 0.63864 1.00000
S8 S 0.15979 0.50384 0.03321 1.00000
S9 S 0.54958 0.56187 0.79734 1.00000
获取直接链接