Ag2Sb3
Alexandria ALEXAlex-ID: agm005508151 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_99_spg43
Sb Ag
2023-03-19 16:18:41.542747
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508151).
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 agm005508151
data_agm005508151
_cell_length_a 10.63219
_cell_length_b 8.26681
_cell_length_c 7.43912
_cell_angle_alpha 85.03861
_cell_angle_beta 50.77001
_cell_angle_gamma 44.19138
_cell_volume 258.97229
_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 0.83516 0.18696 0.53705 1.00000
Ag2 Ag 0.44084 0.53705 0.18696 1.00000
Ag3 Ag 0.06304 0.41484 0.80916 1.00000
Ag4 Ag 0.71295 0.80916 0.41484 1.00000
Sb1 Sb 0.43544 0.81882 0.41181 1.00000
Sb2 Sb 0.33393 0.41181 0.81882 1.00000
Sb3 Sb 0.43118 0.81456 0.91607 1.00000
Sb4 Sb 0.83819 0.91607 0.81456 1.00000
Sb5 Sb 0.95463 0.04537 0.04537 1.00000
Sb6 Sb 0.20463 0.29537 0.29537 1.00000
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