K3In5Ag6
Alexandria ALEXAlex-ID: agm005707705 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C6_17_spg59
K17In41 InAg7 K8In11
2023-06-30 11:47:13.854863
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707705).
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 agm005707705
data_agm005707705
_cell_length_a 4.78681
_cell_length_b 11.62103
_cell_length_c 14.36337
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 799.00044
_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
K1 K 0.00000 0.25954 0.70746 1.00000
K2 K 0.50000 0.74046 0.20746 1.00000
K3 K 0.50000 0.74046 0.79254 1.00000
K4 K 0.00000 0.21877 0.00000 1.00000
K5 K 0.50000 0.78123 0.50000 1.00000
K6 K 0.00000 0.25954 0.29254 1.00000
In1 In 0.00000 0.52260 0.89459 1.00000
In2 In 0.00000 0.94757 0.68207 1.00000
In3 In 0.00000 0.75487 0.00000 1.00000
In4 In 0.50000 0.47740 0.60541 1.00000
In5 In 0.50000 0.24513 0.50000 1.00000
In6 In 0.00000 0.52260 0.10541 1.00000
In7 In 0.50000 0.47740 0.39459 1.00000
In8 In 0.00000 0.94757 0.31793 1.00000
In9 In 0.50000 0.05243 0.81793 1.00000
In10 In 0.50000 0.05243 0.18207 1.00000
Ag1 Ag 0.00000 0.95044 0.88459 1.00000
Ag2 Ag 0.50000 0.04956 0.61541 1.00000
Ag3 Ag 0.50000 0.45409 0.80218 1.00000
Ag4 Ag 0.50000 0.46451 0.00000 1.00000
Ag5 Ag 0.00000 0.53549 0.50000 1.00000
Ag6 Ag 0.00000 0.54591 0.69782 1.00000
Ag7 Ag 0.00000 0.54591 0.30218 1.00000
Ag8 Ag 0.50000 0.92851 0.00000 1.00000
Ag9 Ag 0.00000 0.95044 0.11541 1.00000
Ag10 Ag 0.50000 0.45409 0.19782 1.00000
Ag11 Ag 0.00000 0.07149 0.50000 1.00000
Ag12 Ag 0.50000 0.04956 0.38459 1.00000
