SiAg7Te6
Alexandria ALEXAlex-ID: agm005581682 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C7_5_spg72
SiAg2Te3 Si(Ag4Te3)2 Te
2023-06-08 23:53:36.022536
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005581682).
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 agm005581682
data_agm005581682
_cell_length_a 6.73403
_cell_length_b 11.60292
_cell_length_c 11.60292
_cell_angle_alpha 83.80805
_cell_angle_beta 73.13086
_cell_angle_gamma 73.13087
_cell_volume 829.96886
_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
Si1 Si 0.75000 0.25000 0.25000 1.00000
Si2 Si 0.25000 0.75000 0.75000 1.00000
Ag1 Ag 0.71990 0.03257 0.96743 1.00000
Ag2 Ag 0.28010 0.96743 0.03257 1.00000
Ag3 Ag 0.78010 0.53257 0.46743 1.00000
Ag4 Ag 0.21990 0.46743 0.53257 1.00000
Ag5 Ag 0.55533 0.62864 0.17702 1.00000
Ag6 Ag 0.63901 0.17702 0.62864 1.00000
Ag7 Ag 0.94467 0.32298 0.87136 1.00000
Ag8 Ag 0.86099 0.87136 0.32298 1.00000
Ag9 Ag 0.44467 0.37136 0.82298 1.00000
Ag10 Ag 0.36099 0.82298 0.37136 1.00000
Ag11 Ag 0.05533 0.67702 0.12864 1.00000
Ag12 Ag 0.13901 0.12864 0.67702 1.00000
Ag13 Ag 0.25000 0.25000 0.25000 1.00000
Ag14 Ag 0.75000 0.75000 0.75000 1.00000
Te1 Te 0.62026 0.26091 0.05992 1.00000
Te2 Te 0.05890 0.05992 0.26091 1.00000
Te3 Te 0.87974 0.44008 0.23909 1.00000
Te4 Te 0.44110 0.23909 0.44008 1.00000
Te5 Te 0.37974 0.73909 0.94008 1.00000
Te6 Te 0.94110 0.94008 0.73909 1.00000
Te7 Te 0.12026 0.55992 0.76091 1.00000
Te8 Te 0.55890 0.76091 0.55992 1.00000
Te9 Te 0.15296 0.64745 0.35255 1.00000
Te10 Te 0.84704 0.35255 0.64745 1.00000
Te11 Te 0.34704 0.14745 0.85255 1.00000
Te12 Te 0.65296 0.85255 0.14745 1.00000
